# generated using pymatgen
data_KCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29802956
_cell_length_b   6.18889608
_cell_length_c   10.72319090
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuS
_chemical_formula_sum   'K4 Cu4 S4'
_cell_volume   351.60221718
_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
  K  K0  1  0.24746365  0.52448039  0.84557940  1.0
  K  K1  1  0.74746365  0.02448039  0.65442060  1.0
  K  K2  1  0.24746365  0.97551961  0.34557940  1.0
  K  K3  1  0.74746365  0.47551961  0.15442060  1.0
  Cu  Cu4  1  0.99939878  0.00006018  0.99991317  1.0
  Cu  Cu5  1  0.99939878  0.49993982  0.49991317  1.0
  Cu  Cu6  1  0.49939878  0.50006018  0.50008683  1.0
  Cu  Cu7  1  0.49939878  0.99993982  0.00008683  1.0
  S  S8  1  0.24913658  0.22444719  0.08842996  1.0
  S  S9  1  0.24913658  0.27555281  0.58842996  1.0
  S  S10  1  0.74913658  0.77555281  0.91157004  1.0
  S  S11  1  0.74913658  0.72444719  0.41157004  1.0