# generated using pymatgen
data_CuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77527252
_cell_length_b   3.77527252
_cell_length_c   16.29290774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.37020228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS
_chemical_formula_sum   'Cu6 S6'
_cell_volume   200.35197715
_cell_formula_units_Z   6
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
  Cu  Cu0  1  0.66203024  0.33796976  0.60661858  1.0
  Cu  Cu1  1  0.33796976  0.66203024  0.10661858  1.0
  Cu  Cu2  1  0.66203024  0.33796976  0.89338142  1.0
  Cu  Cu3  1  0.63602702  0.36397298  0.25000000  1.0
  Cu  Cu4  1  0.33796976  0.66203024  0.39338142  1.0
  Cu  Cu5  1  0.36397298  0.63602702  0.75000000  1.0
  S  S6  1  0.99584799  0.00415201  0.56423351  1.0
  S  S7  1  0.69521872  0.30478128  0.75000000  1.0
  S  S8  1  0.00415201  0.99584799  0.06423351  1.0
  S  S9  1  0.30478128  0.69521872  0.25000000  1.0
  S  S10  1  0.99584799  0.00415201  0.93576649  1.0
  S  S11  1  0.00415201  0.99584799  0.43576649  1.0