# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72920693
_cell_length_b   3.72872994
_cell_length_c   12.28910559
_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   170.88253904
_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  0.25000000  0.24978176  0.07824567  1
  Li  Li1  1  0.75000000  0.74978176  0.42175433  1
  Li  Li2  1  0.25000000  0.25021824  0.57824567  1
  Li  Li3  1  0.75000000  0.75021824  0.92175433  1
  Cu  Cu4  1  0.25000000  0.74855373  0.24979191  1
  Cu  Cu5  1  0.75000000  0.24855373  0.25020809  1
  Cu  Cu6  1  0.25000000  0.75144627  0.74979191  1
  Cu  Cu7  1  0.75000000  0.25144627  0.75020809  1
  S  S8  1  0.75000000  0.74903455  0.12409106  1
  S  S9  1  0.25000000  0.24903455  0.37590894  1
  S  S10  1  0.75000000  0.75096545  0.62409106  1
  S  S11  1  0.25000000  0.25096545  0.87590894  1
