data_CuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS
_chemical_formula_sum   'Cu4 S4'
_cell_volume   122.1
_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
  Cu  Cu0  1  0.25  0.3  0.54  1.0
  Cu  Cu1  1  0.0  0.59  0.03  1.0
  Cu  Cu2  1  0.0  0.59  0.44  1.0
  Cu  Cu3  1  0.25  0.3  0.95  1.0
  S  S4  1  0.0  0.0  0.75  1.0
  S  S5  1  0.0  0.0  0.24  1.0
  S  S6  1  0.25  0.3  0.24  1.0
  S  S7  1  0.0  0.59  0.75  1.0

data_CuS
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS
_chemical_formula_sum   'Cu4 S4'
_cell_volume   122.1
_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
  Cu  Cu0  1  -0.0  0.59  0.03  1.0
  Cu  Cu1  1  -0.0  0.59  0.44  1.0
  Cu  Cu2  1  0.25  0.3  0.54  1.0
  Cu  Cu3  1  0.25  0.3  0.95  1.0
  S  S4  1  -0.0  0.59  0.75  1.0
  S  S5  1  0.0  0.0  0.24  1.0
  S  S6  1  0.0  0.0  0.75  1.0
  S  S7  1  0.25  0.3  0.24  1.0

Cu Cu Cu Cu S S S S