data_[Cs1Cd2Ni1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3066]
_cell_length_b [6.3267]
_cell_length_c [10.3283]
_cell_angle_alpha [73.8961]
_cell_angle_beta [73.0228]
_cell_angle_gamma [80.5862]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCd2NiCl8]
_chemical_formula_sum '[Cs1 Cd2 Ni1 Cl8]'
_cell_volume [377.1414]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd1  2  0.4826  0.6657  0.1422  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2005  0.1880  0.7960  1.0
  Cl  Cl4  2  0.2236  0.0769  0.1125  1.0
  Cl  Cl5  2  0.2549  0.6574  0.9702  1.0
  Cl  Cl6  2  0.2968  0.4891  0.3821  1.0
]