data_[Li14Hg2Bi8]
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 [11.7425]
_cell_length_b [5.1871]
_cell_length_c [10.7154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7HgBi4]
_chemical_formula_sum '[Li14 Hg2 Bi8]'
_cell_volume [553.2209]
_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  0.0802  0.0000  0.3453  1.0
  Li  Li1  4  0.1412  0.5000  0.5355  1.0
  Li  Li2  4  0.2083  0.0000  0.9166  1.0
  Li  Li3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  4  0.0781  0.5000  0.7690  1.0
  Bi  Bi6  4  0.2263  0.5000  0.3140  1.0
]