data_[Cs1Nd1Pb2Cl8]
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 [P2/m]
_cell_length_a [6.7187]
_cell_length_b [9.2550]
_cell_length_c [6.9599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsNd(PbCl4)2]
_chemical_formula_sum '[Cs1 Nd1 Pb2 Cl8]'
_cell_volume [432.7041]
_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  0.5000  0.0000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2516  0.5000  1.0
  Cl  Cl3  4  0.2438  0.2073  0.1621  1.0
  Cl  Cl4  2  0.2497  0.0000  0.6818  1.0
  Cl  Cl5  2  0.2740  0.5000  0.6039  1.0
]