data_[K1Nd1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.5319]
_cell_length_b [6.9115]
_cell_length_c [9.0141]
_cell_angle_alpha [87.8823]
_cell_angle_beta [88.5845]
_cell_angle_gamma [88.4120]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNd(SnCl4)2]
_chemical_formula_sum '[K1 Nd1 Sn2 Cl8]'
_cell_volume [406.3958]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4958  0.4880  0.7462  1.0
  Cl  Cl3  2  0.2152  0.8150  0.7781  1.0
  Cl  Cl4  2  0.2495  0.3190  0.9640  1.0
  Cl  Cl5  2  0.2526  0.8587  0.2223  1.0
  Cl  Cl6  2  0.2835  0.3568  0.5366  1.0
]