# generated using pymatgen
data_LiCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37499300
_cell_length_b   5.96554300
_cell_length_c   6.65461100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuS2
_chemical_formula_sum   'Li2 Cu2 S4'
_cell_volume   133.98171434
_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  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.50000000  0.50000000  0.50000000  1
  S  S4  1  0.50000000  0.18406200  0.85405900  1
  S  S5  1  0.00000000  0.31593800  0.35405900  1
  S  S6  1  0.00000000  0.68406200  0.64594100  1
  S  S7  1  0.50000000  0.81593800  0.14594100  1
