data_[Cs4Nd4Pb4Cl24]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [10.0429]
_cell_length_b [10.4722]
_cell_length_c [14.7296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsNdPbCl6]
_chemical_formula_sum '[Cs4 Nd4 Pb4 Cl24]'
_cell_volume [1549.1241]
_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
[
  Cs  Cs0  4  0.0000  0.2500  0.4239  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.2500  0.2500  0.7500  1.0
  Cl  Cl3  16  0.2002  0.0398  0.8771  1.0
  Cl  Cl4  4  0.0000  0.2500  0.0595  1.0
  Cl  Cl5  4  0.0000  0.2500  0.6566  1.0
]