data_[Hg6Ge3Bi3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2862]
_cell_length_b [3.2862]
_cell_length_c [34.5866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hg2GeBi]
_chemical_formula_sum '[Hg6 Ge3 Bi3]'
_cell_volume [323.4714]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.0814  1
  Ge  Ge1  3  0.0000  0.0000  0.0000  1
  Bi  Bi2  3  -0.0000  -0.0000  0.5000  1
]