# generated using pymatgen
data_Fe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.47427569
_cell_length_b   9.46595171
_cell_length_c   9.49221308
_cell_angle_alpha   90.00000000
_cell_angle_beta   134.77980356
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3
_chemical_formula_sum   'Fe32 O48'
_cell_volume   859.379235269
_cell_formula_units_Z   16
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  -0.000000  0.536473  0.000000  1
  Fe  Fe2  1  0.748169  0.501619  0.459819  1
  Fe  Fe3  1  -0.000000  0.464621  0.500000  1
  Fe  Fe4  1  0.531006  0.251689  0.277533  1
  Fe  Fe5  1  0.500000  0.542313  0.000000  1
  Fe  Fe6  1  0.462215  0.750280  0.214226  1
  Fe  Fe7  1  0.037785  0.250280  0.785774  1
  Fe  Fe8  1  0.968994  0.751689  0.722467  1
  Fe  Fe9  1  0.500000  0.464777  0.500000  1
  Fe  Fe10  1  0.251831  0.501619  0.540181  1
  Fe  Fe11  1  0.746393  0.501946  0.956178  1
  Fe  Fe12  1  0.253607  0.501946  0.043822  1
  Fe  Fe13  1  0.749958  0.753366  0.746179  1
  Fe  Fe14  1  0.750042  0.253366  0.253821  1
  Fe  Fe15  1  0.747766  0.752894  0.246973  1
  Fe  Fe16  1  0.752234  0.252894  0.753027  1
  Fe  Fe17  1  0.500000  0.036473  0.000000  1
  Fe  Fe18  1  0.248169  0.001619  0.459819  1
  Fe  Fe19  1  0.500000  0.964621  0.500000  1
  Fe  Fe20  1  0.031006  0.751689  0.277533  1
  Fe  Fe21  1  -0.000000  0.042313  0.000000  1
  Fe  Fe22  1  0.962215  0.250280  0.214226  1
  Fe  Fe23  1  0.537785  0.750280  0.785774  1
  Fe  Fe24  1  0.468994  0.251689  0.722467  1
  Fe  Fe25  1  -0.000000  0.964777  0.500000  1
  Fe  Fe26  1  0.751831  0.001619  0.540181  1
  Fe  Fe27  1  0.246393  0.001946  0.956178  1
  Fe  Fe28  1  0.753607  0.001946  0.043822  1
  Fe  Fe29  1  0.249958  0.253366  0.746179  1
  Fe  Fe30  1  0.250042  0.753366  0.253821  1
  Fe  Fe31  1  0.247766  0.252894  0.246973  1
  Fe  Fe32  1  0.252234  0.752894  0.753027  1
  O  O33  1  0.651283  0.109852  0.284373  1
  O  O34  1  0.608787  0.385932  0.197745  1
  O  O35  1  0.613859  0.343332  0.751883  1
  O  O36  1  0.384443  0.887637  0.971508  1
  O  O37  1  0.379502  0.841452  0.514090  1
  O  O38  1  0.620498  0.841452  0.485910  1
  O  O39  1  0.614695  0.661979  0.252702  1
  O  O40  1  0.385598  0.116970  0.473805  1
  O  O41  1  0.614930  0.159886  0.972404  1
  O  O42  1  0.391213  0.385932  0.802255  1
  O  O43  1  0.151938  0.111715  0.014512  1
  O  O44  1  0.348062  0.611715  0.985488  1
  O  O45  1  0.614402  0.116970  0.526195  1
  O  O46  1  0.653326  0.394541  0.516329  1
  O  O47  1  0.388063  0.618317  0.293851  1
  O  O48  1  0.386141  0.343332  0.248117  1
  O  O49  1  0.615557  0.887637  0.028492  1
  O  O50  1  0.611937  0.618317  0.706149  1
  O  O51  1  0.846674  0.894541  0.483671  1
  O  O52  1  0.151022  0.393652  0.785066  1
  O  O53  1  0.385070  0.159886  0.027596  1
  O  O54  1  0.848717  0.609852  0.715627  1
  O  O55  1  0.348978  0.893652  0.214934  1
  O  O56  1  0.385305  0.661979  0.747298  1
  O  O57  1  0.151283  0.609852  0.284373  1
  O  O58  1  0.108787  0.885932  0.197745  1
  O  O59  1  0.113859  0.843332  0.751883  1
  O  O60  1  0.884443  0.387637  0.971508  1
  O  O61  1  0.879502  0.341452  0.514090  1
  O  O62  1  0.120498  0.341452  0.485910  1
  O  O63  1  0.114695  0.161979  0.252702  1
  O  O64  1  0.885598  0.616970  0.473805  1
  O  O65  1  0.114930  0.659886  0.972404  1
  O  O66  1  0.891213  0.885932  0.802255  1
  O  O67  1  0.651938  0.611715  0.014512  1
  O  O68  1  0.848062  0.111715  0.985488  1
  O  O69  1  0.114402  0.616970  0.526195  1
  O  O70  1  0.153326  0.894541  0.516329  1
  O  O71  1  0.888063  0.118317  0.293851  1
  O  O72  1  0.886141  0.843332  0.248117  1
  O  O73  1  0.115557  0.387637  0.028492  1
  O  O74  1  0.111937  0.118317  0.706149  1
  O  O75  1  0.346674  0.394541  0.483671  1
  O  O76  1  0.651022  0.893652  0.785066  1
  O  O77  1  0.885070  0.659886  0.027596  1
  O  O78  1  0.348717  0.109852  0.715627  1
  O  O79  1  0.848978  0.393652  0.214934  1
  O  O80  1  0.885305  0.161979  0.747298  1
