# generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41034348
_cell_length_b   6.41034348
_cell_length_c   6.41034288
_cell_angle_alpha   62.36902893
_cell_angle_beta   62.36902893
_cell_angle_gamma   62.36902933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS2
_chemical_formula_sum   'Li6 Cu2 S4'
_cell_volume   196.10729287
_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  0.97321100  0.25000000  0.52678900  1
  Li  Li1  1  0.47321100  0.02678900  0.75000000  1
  Li  Li2  1  0.75000000  0.47321100  0.02678900  1
  Li  Li3  1  0.25000000  0.52678900  0.97321100  1
  Li  Li4  1  0.52678900  0.97321100  0.25000000  1
  Li  Li5  1  0.02678900  0.75000000  0.47321100  1
  Cu  Cu6  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1
  S  S8  1  0.36200900  0.36200900  0.36200900  1
  S  S9  1  0.63799100  0.63799100  0.63799100  1
  S  S10  1  0.13799100  0.13799100  0.13799100  1
  S  S11  1  0.86200900  0.86200900  0.86200900  1
