data_[Cd4Ni4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6545]
_cell_length_b [3.2758]
_cell_length_c [6.9200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdNiS]
_chemical_formula_sum '[Cd4 Ni4 S4]'
_cell_volume [234.7803]
_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
[
  Cd  Cd0  2  0.2130  0.5000  0.5245  1
  Cd  Cd1  2  0.3652  0.0000  0.8960  1
  Ni  Ni2  2  0.0616  0.0000  0.1874  1
  Ni  Ni3  2  0.2841  0.0000  0.2111  1
  S  S4  2  0.1358  0.5000  0.0429  1
  S  S5  2  0.4269  0.5000  0.3245  1
]