data_[Ag6Hg1Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.1583]
_cell_length_b [6.1583]
_cell_length_c [4.9050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ag6HgBi]
_chemical_formula_sum '[Ag6 Hg1 Bi1]'
_cell_volume [161.0965]
_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
[
  Ag  Ag0  3  0.3502  0.1751  0.5000  1.0
  Ag  Ag1  3  0.5033  0.4967  0.0000  1.0
  Hg  Hg2  1  0.3333  0.6667  0.5000  1.0
  Bi  Bi3  1  0.0000  0.0000  0.0000  1.0
]