data_[Nd2Tl3Pb1]
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 [Pmm2]
_cell_length_a [3.6099]
_cell_length_b [5.3386]
_cell_length_c [9.2025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd2Tl3Pb]
_chemical_formula_sum '[Nd2 Tl3 Pb1]'
_cell_volume [177.3470]
_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  0.4995  1
  Nd  Nd1  1  0.0000  0.5000  0.0000  1
  Tl  Tl2  1  0.5000  0.0000  0.1625  1
  Tl  Tl3  1  0.5000  0.0000  0.8316  1
  Tl  Tl4  1  0.5000  0.5000  0.6711  1
  Pb  Pb5  1  0.5000  0.5000  0.3353  1
]