# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99009549
_cell_length_b   6.94531527
_cell_length_c   5.99368466
_cell_angle_alpha   64.91287834
_cell_angle_beta   64.13996300
_cell_angle_gamma   50.94715867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuS
_chemical_formula_sum   'Li4 Cu4 S4'
_cell_volume   198.65191661
_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  0.63780305  0.63780305  0.36219695  1.0
  Li  Li1  1  0.88780305  0.88780305  0.61219695  1.0
  Li  Li2  1  0.36219695  0.36219695  0.63780305  1.0
  Li  Li3  1  0.61219695  0.61219695  0.88780305  1.0
  Cu  Cu4  1  0.62500000  0.12500000  0.12500000  1.0
  Cu  Cu5  1  0.12500000  0.12500000  0.12500000  1.0
  Cu  Cu6  1  0.12500000  0.62500000  0.12500000  1.0
  Cu  Cu7  1  0.12500000  0.12500000  0.62500000  1.0
  S  S8  1  0.97681023  0.52318977  0.97681023  1.0
  S  S9  1  0.52318977  0.97681023  0.52318977  1.0
  S  S10  1  0.27318977  0.72681023  0.27318977  1.0
  S  S11  1  0.72681023  0.27318977  0.72681023  1.0