data_[Nd1Tl1Pb2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  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 [6.6667]
_cell_length_b [9.0238]
_cell_length_c [6.9424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdTl(PbCl4)2]
_chemical_formula_sum '[Nd1 Tl1 Pb2 Cl8]'
_cell_volume [417.6249]
_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
[
  Nd  Nd0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2533  0.5000  1.0
  Cl  Cl3  4  0.2345  0.2188  0.1636  1.0
  Cl  Cl4  2  0.2521  0.0000  0.6817  1.0
  Cl  Cl5  2  0.2785  0.5000  0.6360  1.0
]