# generated using pymatgen
data_ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86767197
_cell_length_b   4.86767001
_cell_length_c   4.46859966
_cell_angle_alpha   90.00013989
_cell_angle_beta   89.99992504
_cell_angle_gamma   119.99997733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReO3
_chemical_formula_sum   'Re2 O6'
_cell_volume   91.69477979
_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  0.66666749  0.33333418  0.75000017  1.0
  Re  Re1  1  0.33333486  0.66666680  0.25000011  1.0
  O  O2  1  0.62692903  -0.00000023  0.49999893  1.0
  O  O3  1  0.62692869  0.62692889  0.00000082  1.0
  O  O4  1  0.37307020  -0.00000054  0.00000060  1.0
  O  O5  1  0.37307058  0.37307102  0.49999969  1.0
  O  O6  1  -0.00000047  0.62692928  0.50000191  1.0
  O  O7  1  -0.00000038  0.37307060  0.99999776  1.0