# generated using pymatgen
data_Li6CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68758090
_cell_length_b   7.68758090
_cell_length_c   7.68758090
_cell_angle_alpha   152.90099286
_cell_angle_beta   124.24747916
_cell_angle_gamma   63.06436599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6CuS4
_chemical_formula_sum   'Li6 Cu1 S4'
_cell_volume   169.68022043
_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  0.40959200  0.11950800  0.29008500  1
  Li  Li1  1  0.82107700  0.35641700  0.46466000  1
  Li  Li2  1  0.39544200  0.31255900  0.08288200  1
  Li  Li3  1  0.77032300  0.68744100  0.08288200  1
  Li  Li4  1  0.10824300  0.64358300  0.46466000  1
  Li  Li5  1  0.17057700  0.88049200  0.29008500  1
  Cu  Cu6  1  0.71849600  0.00000000  0.71849600  1
  S  S7  1  0.02533000  0.00000000  0.02533000  1
  S  S8  1  0.51173400  0.74665800  0.76507600  1
  S  S9  1  0.01841700  0.25334200  0.76507600  1
  S  S10  1  0.53194800  0.50000000  0.03194800  1
