data_[Nd2Tl3Pb3]
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
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.8381]
_cell_length_b [4.9879]
_cell_length_c [9.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Nd2(TlPb)3]
_chemical_formula_sum '[Nd2 Tl3 Pb3]'
_cell_volume [232.5765]
_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  2  0.0000  0.0000  0.2504  1.0
  Tl  Tl1  2  0.5000  0.5000  0.2473  1.0
  Tl  Tl2  1  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  1  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  1  0.5000  0.0000  0.0000  1.0
  Pb  Pb5  1  0.5000  0.0000  0.5000  1.0
]