data_[Hf2Hg2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9318]
_cell_length_b [5.8828]
_cell_length_c [5.9369]
_cell_angle_alpha [98.9341]
_cell_angle_beta [92.6161]
_cell_angle_gamma [114.1962]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfHgBi]
_chemical_formula_sum '[Hf2 Hg2 Bi2]'
_cell_volume [154.0610]
_cell_formula_units_Z [2]
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
[
  Hf  Hf0  2  0.2070  0.9273  0.8285  1
  Hg  Hg1  2  0.4501  0.3873  0.2273  1
  Bi  Bi2  2  0.1326  0.7460  0.3003  1
]