data_[Nd16Hg4Bi4]
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 [C2/c]
_cell_length_a [8.9867]
_cell_length_b [14.3333]
_cell_length_c [6.3569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4HgBi]
_chemical_formula_sum '[Nd16 Hg4 Bi4]'
_cell_volume [762.0850]
_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  0.1029  0.1902  0.0594  1.0
  Nd  Nd1  8  0.1968  0.4100  0.3601  1.0
  Hg  Hg2  4  0.0000  0.0019  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3857  0.7500  1.0
]