# generated using pymatgen
data_ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51436331
_cell_length_b   6.51436265
_cell_length_c   6.51436131
_cell_angle_alpha   109.47121593
_cell_angle_beta   109.47121015
_cell_angle_gamma   109.47123888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReO3
_chemical_formula_sum   'Re4 O12'
_cell_volume   212.81088752
_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  0.00000083  0.00000031  0.50000075  1.0
  Re  Re1  1  -0.00000018  0.49999999  0.00000007  1.0
  Re  Re2  1  0.49999974  -0.00000048  0.00000009  1.0
  Re  Re3  1  0.49999985  0.50000029  0.49999975  1.0
  O  O4  1  0.74172973  0.75853323  0.50026298  1.0
  O  O5  1  0.74173066  0.24146670  0.98319746  1.0
  O  O6  1  0.25826953  0.75853348  0.01680249  1.0
  O  O7  1  0.24146655  0.49973676  0.25826981  1.0
  O  O8  1  0.25827006  0.24146664  0.49973691  1.0
  O  O9  1  0.75853308  0.01680245  0.25826898  1.0
  O  O10  1  0.98319747  0.74173017  0.24146617  1.0
  O  O11  1  0.75853351  0.50026320  0.74173015  1.0
  O  O12  1  0.01680251  0.25826978  0.75853373  1.0
  O  O13  1  0.24146663  0.98319753  0.74173073  1.0
  O  O14  1  0.50026301  0.74173033  0.75853286  1.0
  O  O15  1  0.49973700  0.25826963  0.24146705  1.0