# generated using pymatgen
data_Li6CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99097400
_cell_length_b   7.99097400
_cell_length_c   5.67824400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6CuS4
_chemical_formula_sum   'Li12 Cu2 S8'
_cell_volume   362.58804931
_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  0.27664800  0.27664800  0.50000000  1.0
  Li  Li1  1  0.72335200  0.27664800  0.50000000  1.0
  Li  Li2  1  0.00000000  0.50000000  0.45371300  1.0
  Li  Li3  1  0.00000000  0.50000000  0.95371300  1.0
  Li  Li4  1  0.27664800  0.72335200  0.50000000  1.0
  Li  Li5  1  0.72335200  0.72335200  0.50000000  1.0
  Li  Li6  1  0.77664800  0.77664800  0.00000000  1.0
  Li  Li7  1  0.22335200  0.77664800  0.00000000  1.0
  Li  Li8  1  0.50000000  0.00000000  0.04628700  1.0
  Li  Li9  1  0.50000000  0.00000000  0.54628700  1.0
  Li  Li10  1  0.77664800  0.22335200  0.00000000  1.0
  Li  Li11  1  0.22335200  0.22335200  0.00000000  1.0
  Cu  Cu12  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu13  1  0.00000000  0.00000000  0.50000000  1.0
  S  S14  1  0.00000000  0.25521500  0.70345400  1.0
  S  S15  1  0.75521500  0.50000000  0.20345400  1.0
  S  S16  1  0.24478500  0.50000000  0.20345400  1.0
  S  S17  1  0.00000000  0.74478500  0.70345400  1.0
  S  S18  1  0.50000000  0.75521500  0.79654600  1.0
  S  S19  1  0.74478500  0.00000000  0.29654600  1.0
  S  S20  1  0.25521500  0.00000000  0.29654600  1.0
  S  S21  1  0.50000000  0.24478500  0.79654600  1.0