data_[Li12Hg2Bi2]
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 [Amm2]
_cell_length_a [4.7468]
_cell_length_b [6.1483]
_cell_length_c [10.3750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6HgBi]
_chemical_formula_sum '[Li12 Hg2 Bi2]'
_cell_volume [302.7946]
_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  0.2412  0.6615  1.0
  Li  Li1  4  0.5000  0.2418  0.8377  1.0
  Li  Li2  2  0.0000  0.0000  0.4172  1.0
  Li  Li3  2  0.5000  0.0000  0.0841  1.0
  Hg  Hg4  2  0.0000  0.0000  0.9173  1.0
  Bi  Bi5  2  0.5000  0.0000  0.5834  1.0
]