# generated using pymatgen
data_YFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54362468
_cell_length_b   12.16016060
_cell_length_c   6.12944940
_cell_angle_alpha   75.40342711
_cell_angle_beta   90.00431811
_cell_angle_gamma   81.61830938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeO3
_chemical_formula_sum   'Y4 Fe4 O12'
_cell_volume   252.68252179
_cell_formula_units_Z   4
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
  Y  Y0  1  0.24999616  0.50000770  0.24999584  1.0
  Y  Y1  1  0.75000380  0.49999228  0.75000351  1.0
  Y  Y2  1  0.50000685  0.99998265  0.50000861  1.0
  Y  Y3  1  0.99999083  0.00002095  -0.00000969  1.0
  Fe  Fe4  1  0.62481974  0.75000285  0.95707857  1.0
  Fe  Fe5  1  0.37517788  0.24999848  0.04292640  1.0
  Fe  Fe6  1  0.12482043  0.75000185  0.45707983  1.0
  Fe  Fe7  1  0.87517815  0.24999821  0.54291716  1.0
  O  O8  1  0.37506611  0.25001896  0.37623001  1.0
  O  O9  1  0.87507164  0.25000656  0.87622878  1.0
  O  O10  1  0.12493900  0.74997062  0.12377456  1.0
  O  O11  1  0.62492535  0.75000080  0.62376721  1.0
  O  O12  1  0.29257426  0.41492365  0.95918646  1.0
  O  O13  1  0.79257068  0.41492868  0.45918488  1.0
  O  O14  1  0.54253312  0.91490188  0.87591709  1.0
  O  O15  1  0.04253230  0.91489862  0.37587218  1.0
  O  O16  1  0.70742889  0.58507170  0.04080421  1.0
  O  O17  1  0.20742731  0.58507496  0.54082556  1.0
  O  O18  1  0.45746581  0.08510383  0.12412372  1.0
  O  O19  1  0.95746567  0.08509877  0.62408611  1.0