data_[Nd12Tl8Pb4]
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 [C2/c]
_cell_length_a [16.7702]
_cell_length_b [6.6452]
_cell_length_c [6.6848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Tl2Pb]
_chemical_formula_sum '[Nd12 Tl8 Pb4]'
_cell_volume [728.0499]
_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
[
  Nd  Nd0  8  0.1705  0.1187  0.5973  1
  Nd  Nd1  4  0.0000  0.3640  0.2500  1
  Tl  Tl2  8  0.1653  0.3816  0.0597  1
  Pb  Pb3  4  0.0000  0.1372  0.7500  1
]