# generated using pymatgen
data_ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76177341
_cell_length_b   5.32171147
_cell_length_c   5.32171147
_cell_angle_alpha   89.99995457
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReO3
_chemical_formula_sum   'Re2 O6'
_cell_volume   106.53572883
_cell_formula_units_Z   2
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  0.50000000  0.49999932  0.50000085  1.0
  Re  Re1  1  0.50000000  0.00000085  -0.00000068  1.0
  O  O2  1  0.50000000  0.23796426  0.73796426  1.0
  O  O3  1  0.50000000  0.73796650  0.76203415  1.0
  O  O4  1  0.50000000  0.26203415  0.23796650  1.0
  O  O5  1  0.50000000  0.76203582  0.26203582  1.0
  O  O6  1  -0.00000000  0.49999673  0.50000337  1.0
  O  O7  1  -0.00000000  0.00000337  0.99999673  1.0