data_[K4Nd4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5389]
_cell_length_b [13.4536]
_cell_length_c [7.1077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNdCl4]
_chemical_formula_sum '[K4 Nd4 Cl16]'
_cell_volume [757.7998]
_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
[
  K  K0  4  0.0000  0.3608  0.7500  1.0
  Nd  Nd1  4  0.0000  0.0091  0.2500  1.0
  Cl  Cl2  8  0.1025  0.1582  0.0623  1.0
  Cl  Cl3  8  0.2303  0.5590  0.7902  1.0
]