# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07670857
_cell_length_b   6.98766041
_cell_length_c   6.07262523
_cell_angle_alpha   64.37470551
_cell_angle_beta   89.77187120
_cell_angle_gamma   115.89405815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuS
_chemical_formula_sum   'Li4 Cu4 S4'
_cell_volume   203.15419511
_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  0.51309027  0.02790182  0.23829704  1
  Li  Li1  1  0.76057667  0.52614290  0.48722463  1
  Li  Li2  1  0.23304397  0.46587671  0.51197704  1
  Li  Li3  1  0.48213242  0.96552861  0.77130077  1
  Cu  Cu4  1  0.49948243  0.50302839  0.00263742  1
  Cu  Cu5  1  -0.00121684  0.99693248  0.99713657  1
  Cu  Cu6  1  0.00497704  0.49577988  0.00276887  1
  Cu  Cu7  1  0.99640836  0.99791525  0.49476451  1
  S  S8  1  0.85143507  0.24656930  0.85362570  1
  S  S9  1  0.39584492  0.24573278  0.39965877  1
  S  S10  1  0.14579436  0.74598240  0.15194168  1
  S  S11  1  0.59636133  0.74703348  0.60292200  1
