data_[Nd16Tl4Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.5156]
_cell_length_b [6.3762]
_cell_length_c [7.6057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4TlBi]
_chemical_formula_sum '[Nd16 Tl4 Bi4]'
_cell_volume [834.4168]
_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  0.0745  0.3891  0.9426  1
  Nd  Nd1  8  0.1507  0.1256  0.6094  1
  Tl  Tl2  4  0.2500  0.2500  0.0000  1
  Bi  Bi3  4  0.0000  0.1209  0.2500  1
]