data_CuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   33.47
_cell_angle_beta   33.47
_cell_angle_gamma   33.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS
_chemical_formula_sum   'Cu2 S2'
_cell_volume   65.9
_cell_formula_units_Z   2
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  0.0  0.95  1.0
  Cu  Cu1  1  0.0  0.0  0.71  1.0
  S  S2  1  0.0  0.0  0.98  1.0
  S  S3  1  0.0  0.0  0.68  1.0

data_CuS
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.23
_cell_length_b   3.6
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   CuS
_chemical_formula_sum   'Cu4 S4'
_cell_volume   131.8
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.12  1.0
  S  S1  4  0.0  0.0  0.15  1.0

Cu Cu S S