data_[Hg7Bi9]
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 [P6mm]
_cell_length_a [9.4053]
_cell_length_b [9.4053]
_cell_length_c [19.8030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Hg7Bi9]
_chemical_formula_sum '[Hg7 Bi9]'
_cell_volume [1517.0726]
_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  0.2112  0.4225  0.6325  1
  Hg  Hg1  1  0.0000  0.0000  0.3947  1
  Bi  Bi2  6  0.2105  0.4211  0.3900  1
  Bi  Bi3  3  0.0000  0.5000  0.4902  1
]