# generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29296600
_cell_length_b   5.33776300
_cell_length_c   12.07670300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS2
_chemical_formula_sum   'Li12 Cu4 S8'
_cell_volume   341.19823593
_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  0.00000000  0.25000000  0.74873700  1
  Li  Li1  1  0.00000000  0.75000000  0.25126300  1
  Li  Li2  1  0.24109900  0.48411400  0.42777500  1
  Li  Li3  1  0.24109900  0.98411400  0.57222500  1
  Li  Li4  1  0.25890100  0.98411400  0.07222500  1
  Li  Li5  1  0.25890100  0.48411400  0.92777500  1
  Li  Li6  1  0.50000000  0.75000000  0.75126300  1
  Li  Li7  1  0.50000000  0.25000000  0.24873700  1
  Li  Li8  1  0.74109900  0.51588600  0.07222500  1
  Li  Li9  1  0.74109900  0.01588600  0.92777500  1
  Li  Li10  1  0.75890100  0.01588600  0.42777500  1
  Li  Li11  1  0.75890100  0.51588600  0.57222500  1
  Cu  Cu12  1  0.00000000  0.25000000  0.24462900  1
  Cu  Cu13  1  0.00000000  0.75000000  0.75537100  1
  Cu  Cu14  1  0.50000000  0.75000000  0.25537100  1
  Cu  Cu15  1  0.50000000  0.25000000  0.74462900  1
  S  S16  1  0.24751400  0.00444900  0.37169300  1
  S  S17  1  0.24751400  0.50444900  0.62830700  1
  S  S18  1  0.25248600  0.00444900  0.87169300  1
  S  S19  1  0.25248600  0.50444900  0.12830700  1
  S  S20  1  0.74751400  0.99555100  0.12830700  1
  S  S21  1  0.74751400  0.49555100  0.87169300  1
  S  S22  1  0.75248600  0.49555100  0.37169300  1
  S  S23  1  0.75248600  0.99555100  0.62830700  1
