# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92905500
_cell_length_b   5.15033700
_cell_length_c   8.32292900
_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   211.28832538
_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  0.01399700  0.63853600  1
  Li  Li1  1  0.75000000  0.51399700  0.86146400  1
  Li  Li2  1  0.25000000  0.48600300  0.13853600  1
  Li  Li3  1  0.75000000  0.98600300  0.36146400  1
  Cu  Cu4  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu6  1  0.50000000  0.00000000  0.00000000  1
  Cu  Cu7  1  0.00000000  0.00000000  0.00000000  1
  S  S8  1  0.75000000  0.21786800  0.62761600  1
  S  S9  1  0.25000000  0.71786800  0.87238400  1
  S  S10  1  0.75000000  0.28213200  0.12761600  1
  S  S11  1  0.25000000  0.78213200  0.37238400  1
