# generated using pymatgen
data_Li2CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90745700
_cell_length_b   7.90745700
_cell_length_c   5.83758300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuS2
_chemical_formula_sum   'Li8 Cu4 S8'
_cell_volume   365.01166717
_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  0.25558200  0.25558200  0.50000000  1
  Li  Li1  1  0.74441800  0.25558200  0.50000000  1
  Li  Li2  1  0.25558200  0.74441800  0.50000000  1
  Li  Li3  1  0.74441800  0.74441800  0.50000000  1
  Li  Li4  1  0.75558200  0.75558200  0.00000000  1
  Li  Li5  1  0.24441800  0.75558200  0.00000000  1
  Li  Li6  1  0.75558200  0.24441800  0.00000000  1
  Li  Li7  1  0.24441800  0.24441800  0.00000000  1
  Cu  Cu8  1  0.00000000  0.50000000  0.00689300  1
  Cu  Cu9  1  0.00000000  0.50000000  0.50689300  1
  Cu  Cu10  1  0.50000000  0.00000000  0.99310700  1
  Cu  Cu11  1  0.50000000  0.00000000  0.49310700  1
  S  S12  1  0.00000000  0.27454000  0.25882100  1
  S  S13  1  0.77454000  0.50000000  0.75882100  1
  S  S14  1  0.22546000  0.50000000  0.75882100  1
  S  S15  1  0.00000000  0.72546000  0.25882100  1
  S  S16  1  0.50000000  0.77454000  0.24117900  1
  S  S17  1  0.27454000  0.00000000  0.74117900  1
  S  S18  1  0.72546000  0.00000000  0.74117900  1
  S  S19  1  0.50000000  0.22546000  0.24117900  1
