# generated using pymatgen
data_ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52144097
_cell_length_b   6.52143423
_cell_length_c   6.52143255
_cell_angle_alpha   109.47112354
_cell_angle_beta   109.47126959
_cell_angle_gamma   109.47122673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReO3
_chemical_formula_sum   'Re4 O12'
_cell_volume   213.50498899
_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
  Re  Re0  1  -0.00000957  -0.00001380  0.49999523  1.0
  Re  Re1  1  0.50001140  0.00001700  0.00000840  1.0
  Re  Re2  1  0.00000576  0.50000349  -0.00000723  1.0
  Re  Re3  1  0.49999151  0.49999818  0.50000597  1.0
  O  O4  1  0.24967532  0.99939911  0.74971417  1.0
  O  O5  1  0.75031709  0.00059697  0.25027784  1.0
  O  O6  1  0.75031958  0.50003666  0.74972174  1.0
  O  O7  1  0.24968127  0.49995949  0.25028185  1.0
  O  O8  1  0.99940663  0.74971291  0.24969820  1.0
  O  O9  1  0.00059085  0.25029096  0.75030809  1.0
  O  O10  1  0.50002112  0.74971098  0.75030176  1.0
  O  O11  1  0.49998345  0.25028521  0.24969379  1.0
  O  O12  1  0.74970385  0.24969004  0.99939593  1.0
  O  O13  1  0.25029448  0.75030679  0.00060433  1.0
  O  O14  1  0.74970581  0.75031016  0.50001025  1.0
  O  O15  1  0.25030044  0.24969484  0.49998770  1.0