# generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95579433
_cell_length_b   7.95579433
_cell_length_c   7.95579433
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS2
_chemical_formula_sum   'Li12 Cu4 S8'
_cell_volume   387.64014913
_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
  Li  Li0  1  0.86581600  0.25000000  0.11581600  1
  Li  Li1  1  0.86581600  0.11581600  0.75000000  1
  Li  Li2  1  0.63418400  0.38418400  0.25000000  1
  Li  Li3  1  0.75000000  0.38418400  0.63418400  1
  Li  Li4  1  0.75000000  0.86581600  0.11581600  1
  Li  Li5  1  0.63418400  0.75000000  0.38418400  1
  Li  Li6  1  0.38418400  0.25000000  0.63418400  1
  Li  Li7  1  0.25000000  0.63418400  0.38418400  1
  Li  Li8  1  0.25000000  0.11581600  0.86581600  1
  Li  Li9  1  0.11581600  0.86581600  0.25000000  1
  Li  Li10  1  0.38418400  0.63418400  0.75000000  1
  Li  Li11  1  0.11581600  0.75000000  0.86581600  1
  Cu  Cu12  1  0.50000000  0.00000000  0.25000000  1
  Cu  Cu13  1  0.25000000  0.50000000  0.00000000  1
  Cu  Cu14  1  0.25000000  0.25000000  0.25000000  1
  Cu  Cu15  1  0.00000000  0.25000000  0.50000000  1
  S  S16  1  0.98069600  0.50000000  0.00000000  1
  S  S17  1  0.51930400  0.50000000  0.00000000  1
  S  S18  1  0.50000000  0.00000000  0.51930400  1
  S  S19  1  0.50000000  0.00000000  0.98069600  1
  S  S20  1  0.51930400  0.51930400  0.51930400  1
  S  S21  1  0.98069600  0.98069600  0.98069600  1
  S  S22  1  0.00000000  0.51930400  0.50000000  1
  S  S23  1  0.00000000  0.98069600  0.50000000  1
