data_[Nd24Hg8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.4745]
_cell_length_b [11.7234]
_cell_length_c [8.9987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd3HgBi]
_chemical_formula_sum '[Nd24 Hg8 Bi8]'
_cell_volume [1316.0051]
_cell_formula_units_Z [8]
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  16  0.1522  0.1509  0.0843  1
  Nd  Nd1  8  0.0000  0.0675  0.6778  1
  Hg  Hg2  8  0.0000  0.1996  0.3689  1
  Bi  Bi3  8  0.2500  0.0972  0.7500  1
]