data_[Cd2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1348]
_cell_length_b [5.5190]
_cell_length_c [7.1803]
_cell_angle_alpha [79.5318]
_cell_angle_beta [87.2552]
_cell_angle_gamma [85.2461]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdSCl]
_chemical_formula_sum '[Cd2 S2 Cl2]'
_cell_volume [160.4846]
_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
[
  Cd  Cd0  2  0.4972  0.6807  0.7118  1.0
  S  S1  2  0.0215  0.3168  0.0751  1.0
  Cl  Cl2  2  0.4007  0.7904  0.3568  1.0
]