# generated using pymatgen
data_Li(ReO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49665943
_cell_length_b   6.49665943
_cell_length_c   6.49665943
_cell_angle_alpha   109.82835399
_cell_angle_beta   109.57622050
_cell_angle_gamma   109.01016818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(ReO3)4
_chemical_formula_sum   'Li1 Re4 O12'
_cell_volume   211.06937241
_cell_formula_units_Z   1
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  0.50000000  0.00000000  0.50000000  1
  Re  Re1  1  0.00000000  0.50000000  0.00000000  1
  Re  Re2  1  0.50000000  0.00000000  0.00000000  1
  Re  Re3  1  0.00000000  0.00000000  0.50000000  1
  Re  Re4  1  0.50000000  0.50000000  0.50000000  1
  O  O5  1  0.28689000  0.79197300  0.07886300  1
  O  O6  1  0.21594900  0.93325100  0.71730200  1
  O  O7  1  0.21594900  0.49864700  0.28269800  1
  O  O8  1  0.93452900  0.71881400  0.21571400  1
  O  O9  1  0.49690000  0.28118600  0.21571400  1
  O  O10  1  0.71311000  0.79197300  0.50508400  1
  O  O11  1  0.28689000  0.20802700  0.49491600  1
  O  O12  1  0.06547100  0.28118600  0.78428600  1
  O  O13  1  0.50310000  0.71881400  0.78428600  1
  O  O14  1  0.78405100  0.50135300  0.71730200  1
  O  O15  1  0.78405100  0.06674900  0.28269800  1
  O  O16  1  0.71311000  0.20802700  0.92113700  1
