data_[Li6Hg4Bi6]
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 [4.2927]
_cell_length_b [4.7519]
_cell_length_c [19.0674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li3Hg2Bi3]
_chemical_formula_sum '[Li6 Hg4 Bi6]'
_cell_volume [388.9465]
_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  0.1300  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  4  0.0000  0.5000  0.2577  1
  Bi  Bi3  4  0.0000  0.0000  0.3759  1
  Bi  Bi4  2  0.0000  0.5000  0.5000  1
]