data_[Cs1Nd1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5370]
_cell_length_b [7.0170]
_cell_length_c [9.6742]
_cell_angle_alpha [84.4219]
_cell_angle_beta [86.8835]
_cell_angle_gamma [87.1158]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNd(SnCl4)2]
_chemical_formula_sum '[Cs1 Nd1 Sn2 Cl8]'
_cell_volume [440.5516]
_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
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4852  0.4833  0.7565  1.0
  Cl  Cl3  2  0.2293  0.8249  0.7994  1.0
  Cl  Cl4  2  0.2417  0.3222  0.9597  1.0
  Cl  Cl5  2  0.2603  0.8597  0.2046  1.0
  Cl  Cl6  2  0.2685  0.3904  0.5686  1.0
]