# generated using pymatgen
data_Li3CuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.78597700
_cell_length_b   10.78597700
_cell_length_c   4.49166300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS3
_chemical_formula_sum   'Li12 Cu4 S12'
_cell_volume   522.54794523
_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  0.35893400  0.10951900  0.50000000  1
  Li  Li1  1  0.60951800  0.14106600  0.00000000  1
  Li  Li2  1  0.16190000  0.16190000  0.00000000  1
  Li  Li3  1  0.66190000  0.33810000  0.50000000  1
  Li  Li4  1  0.10951900  0.35893400  0.50000000  1
  Li  Li5  1  0.85893400  0.39048100  0.00000000  1
  Li  Li6  1  0.14106600  0.60951800  0.00000000  1
  Li  Li7  1  0.89048200  0.64106600  0.50000000  1
  Li  Li8  1  0.33810000  0.66190000  0.50000000  1
  Li  Li9  1  0.83810000  0.83810000  0.00000000  1
  Li  Li10  1  0.39048100  0.85893400  0.00000000  1
  Li  Li11  1  0.64106600  0.89048200  0.50000000  1
  Cu  Cu12  1  0.88709600  0.11290400  0.50000000  1
  Cu  Cu13  1  0.38709600  0.38709600  0.00000000  1
  Cu  Cu14  1  0.61290400  0.61290400  0.00000000  1
  Cu  Cu15  1  0.11290400  0.88709600  0.50000000  1
  S  S16  1  0.09468700  0.09468700  0.50000000  1
  S  S17  1  0.67972400  0.11092900  0.50000000  1
  S  S18  1  0.38907100  0.17972400  0.00000000  1
  S  S19  1  0.88907100  0.32027600  0.50000000  1
  S  S20  1  0.17972400  0.38907100  0.00000000  1
  S  S21  1  0.59468700  0.40531300  0.00000000  1
  S  S22  1  0.40531300  0.59468700  0.00000000  1
  S  S23  1  0.82027600  0.61092900  0.00000000  1
  S  S24  1  0.11092900  0.67972400  0.50000000  1
  S  S25  1  0.61092900  0.82027600  0.00000000  1
  S  S26  1  0.32027600  0.88907100  0.50000000  1
  S  S27  1  0.90531300  0.90531300  0.50000000  1
