# generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95830036
_cell_length_b   6.95830036
_cell_length_c   6.95830036
_cell_angle_alpha   131.72869160
_cell_angle_beta   129.01137865
_cell_angle_gamma   72.83773284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS2
_chemical_formula_sum   'Li6 Cu2 S4'
_cell_volume   190.85870767
_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  0.98556922  0.23556922  0.75000000  1
  Li  Li1  1  0.48556922  0.23556922  0.25000000  1
  Li  Li2  1  0.75000000  0.50000000  0.25000000  1
  Li  Li3  1  0.25000000  0.50000000  0.75000000  1
  Li  Li4  1  0.51443078  0.76443078  0.75000000  1
  Li  Li5  1  0.01443078  0.76443078  0.25000000  1
  Cu  Cu6  1  0.50000000  -0.00000000  0.50000000  1
  Cu  Cu7  1  -0.00000000  -0.00000000  0.00000000  1
  S  S8  1  0.86686749  0.13895699  0.27208949  1
  S  S9  1  0.36686749  0.59478000  0.22791051  1
  S  S10  1  0.63313251  0.40522000  0.77208949  1
  S  S11  1  0.13313251  0.86104301  0.72791051  1
