# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95411300
_cell_length_b   6.58622000
_cell_length_c   7.52681000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuS
_chemical_formula_sum   'Li4 Cu4 S4'
_cell_volume   196.01813959
_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  0.75000000  0.80966700  0.55435600  1.0
  Li  Li1  1  0.75000000  0.69033300  0.05435600  1.0
  Li  Li2  1  0.25000000  0.19033300  0.44564400  1.0
  Li  Li3  1  0.25000000  0.30966700  0.94564400  1.0
  Cu  Cu4  1  0.75000000  0.16868900  0.73779800  1.0
  Cu  Cu5  1  0.75000000  0.33131100  0.23779800  1.0
  Cu  Cu6  1  0.25000000  0.66868900  0.76220200  1.0
  Cu  Cu7  1  0.25000000  0.83131100  0.26220200  1.0
  S  S8  1  0.75000000  0.50838400  0.76854800  1.0
  S  S9  1  0.75000000  0.99161600  0.26854800  1.0
  S  S10  1  0.25000000  0.00838400  0.73145200  1.0
  S  S11  1  0.25000000  0.49161600  0.23145200  1.0