data_[Li12Hg2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3333]
_cell_length_b [6.3992]
_cell_length_c [4.8366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6HgBi2]
_chemical_formula_sum '[Li12 Hg2 Bi4]'
_cell_volume [453.7795]
_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
[
  Li  Li0  8  0.1850  0.2673  0.1906  1
  Li  Li1  4  0.0000  0.2734  0.5000  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.1600  0.5000  0.6683  1
]