# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82945700
_cell_length_b   4.09975400
_cell_length_c   6.17385200
_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   'Li2 Cu2 S2'
_cell_volume   96.92843705
_cell_formula_units_Z   2
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  0.47666100  0.01578200  1
  Li  Li1  1  0.50000000  0.52333900  0.51578200  1
  Cu  Cu2  1  0.00000000  0.94358700  0.33469100  1
  Cu  Cu3  1  0.50000000  0.05641300  0.83469100  1
  S  S4  1  0.00000000  0.19337100  0.65730600  1
  S  S5  1  0.50000000  0.80662900  0.15730600  1
