data_[Nb4Hg4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2418]
_cell_length_b [3.3369]
_cell_length_c [8.1965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbHgBi]
_chemical_formula_sum '[Nb4 Hg4 Bi4]'
_cell_volume [290.6429]
_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
[
  Nb  Nb0  2  0.2641  0.0000  0.7395  1
  Nb  Nb1  2  0.3113  0.5000  0.5051  1
  Hg  Hg2  2  0.0397  0.5000  0.7292  1
  Hg  Hg3  2  0.4509  0.5000  0.9902  1
  Bi  Bi4  2  0.0630  0.0000  0.3925  1
  Bi  Bi5  2  0.2448  0.0000  0.1498  1
]