# generated using pymatgen
data_LiReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42687218
_cell_length_b   5.42687218
_cell_length_c   5.42687206
_cell_angle_alpha   56.53744386
_cell_angle_beta   56.53744386
_cell_angle_gamma   56.53743752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReO3
_chemical_formula_sum   'Li2 Re2 O6'
_cell_volume   103.97122513
_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
  Li  Li0  1  0.21785500  0.21785500  0.21785500  1
  Li  Li1  1  0.71785500  0.71785500  0.71785500  1
  Re  Re2  1  0.50273700  0.50273700  0.50273700  1
  Re  Re3  1  0.00273700  0.00273700  0.00273700  1
  O  O4  1  0.86742000  0.64075700  0.26023100  1
  O  O5  1  0.26023100  0.86742000  0.64075700  1
  O  O6  1  0.36742000  0.76023100  0.14075700  1
  O  O7  1  0.14075700  0.36742000  0.76023100  1
  O  O8  1  0.76023100  0.14075700  0.36742000  1
  O  O9  1  0.64075700  0.26023100  0.86742000  1
