data_[Hg9Bi5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.1186]
_cell_length_b [9.1186]
_cell_length_c [18.9466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Hg9Bi5]
_chemical_formula_sum '[Hg9 Bi5]'
_cell_volume [1364.3348]
_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
[
  Hg  Hg0  6  0.1917  0.4400  0.5950  1
  Hg  Hg1  3  0.0000  0.4008  0.3867  1
  Bi  Bi2  3  0.0000  0.8046  0.4718  1
  Bi  Bi3  2  0.3333  0.6667  0.4273  1
]