# generated using pymatgen
data_LiCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22759213
_cell_length_b   4.22759213
_cell_length_c   6.05899285
_cell_angle_alpha   64.99057386
_cell_angle_beta   64.99057386
_cell_angle_gamma   47.73417886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuS2
_chemical_formula_sum   'Li1 Cu1 S2'
_cell_volume   71.06005645
_cell_formula_units_Z   1
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  0.50000000  0.50000000  1
  Cu  Cu1  1  0.50000000  0.50000000  0.00000000  1
  S  S2  1  0.87316200  0.87316200  0.26566500  1
  S  S3  1  0.12683800  0.12683800  0.73433500  1
