data_[Nb1Hg2Bi1]
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 [P1]
_cell_length_a [3.3597]
_cell_length_b [5.7027]
_cell_length_c [5.7222]
_cell_angle_alpha [115.1176]
_cell_angle_beta [106.6048]
_cell_angle_gamma [91.1974]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbHg2Bi]
_chemical_formula_sum '[Nb1 Hg2 Bi1]'
_cell_volume [93.8407]
_cell_formula_units_Z [1]
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  1  0.2626  0.5134  0.6407  1
  Hg  Hg1  1  0.7255  0.0712  0.6031  1
  Hg  Hg2  1  0.9790  0.9333  0.0693  1
  Bi  Bi3  1  0.5330  0.4822  0.1869  1
]