# generated using pymatgen
data_Li5CuSO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86334500
_cell_length_b   3.86334500
_cell_length_c   7.75026900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5CuSO2
_chemical_formula_sum   'Li5 Cu1 S1 O2'
_cell_volume   115.67613301
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.27764200  1
  Li  Li2  1  0.00000000  0.50000000  0.72235800  1
  Li  Li3  1  0.50000000  0.00000000  0.27764200  1
  Li  Li4  1  0.50000000  0.00000000  0.72235800  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  S  S6  1  0.50000000  0.50000000  0.50000000  1
  O  O7  1  0.00000000  0.00000000  0.23510100  1
  O  O8  1  0.00000000  0.00000000  0.76489900  1
