data_[Li10Hg2Bi12]
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 [Immm]
_cell_length_a [4.7755]
_cell_length_b [8.7958]
_cell_length_c [14.2716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li5HgBi6]
_chemical_formula_sum '[Li10 Hg2 Bi12]'
_cell_volume [599.4674]
_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  0.0000  0.0000  0.3162  1
  Li  Li1  4  0.0000  0.5000  0.3567  1
  Li  Li2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  8  0.0000  0.2659  0.1691  1
  Bi  Bi5  4  0.0000  0.2165  0.5000  1
]