data_[Li16Hg4Bi2]
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 [14.4188]
_cell_length_b [4.5667]
_cell_length_c [6.9690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Hg2Bi]
_chemical_formula_sum '[Li16 Hg4 Bi2]'
_cell_volume [416.1981]
_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  0.0313  0.0000  0.7413  1.0
  Li  Li1  4  0.1105  0.5000  0.4451  1.0
  Li  Li2  4  0.1571  0.0000  0.2091  1.0
  Li  Li3  4  0.1734  0.5000  0.9035  1.0
  Hg  Hg4  4  0.2016  0.0000  0.6576  1.0
  Bi  Bi5  2  0.0000  0.5000  0.0000  1.0
]