data_[Li4Hg12Bi2]
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 [12.7168]
_cell_length_b [5.9671]
_cell_length_c [6.0447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Hg6Bi]
_chemical_formula_sum '[Li4 Hg12 Bi2]'
_cell_volume [450.7017]
_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  4  0.0960  0.5000  0.8861  1.0
  Hg  Hg1  8  0.2285  0.2522  0.2468  1.0
  Hg  Hg2  4  0.0000  0.2500  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
]