data_[K2Nd2Pb2Cl12]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.8604]
_cell_length_b [6.8604]
_cell_length_c [13.3579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [KNdPbCl6]
_chemical_formula_sum '[K2 Nd2 Pb2 Cl12]'
_cell_volume [628.6895]
_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
[
  K  K0  2  0.0000  0.0000  0.9988  1
  Nd  Nd1  2  0.0000  0.0000  0.3330  1
  Pb  Pb2  2  0.0000  0.0000  0.6672  1
  Cl  Cl3  4  0.1812  0.8188  0.4927  1
  Cl  Cl4  4  0.1992  0.8008  0.1854  1
  Cl  Cl5  4  0.2153  0.7847  0.8224  1
]