data_[Li16Hg4Ge2]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5115]
_cell_length_b [12.6081]
_cell_length_c [4.5537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Hg2Ge]
_chemical_formula_sum '[Li16 Hg4 Ge2]'
_cell_volume [405.8780]
_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  8  0.1853  0.1059  0.1025  1.0
  Li  Li1  4  0.0000  0.2059  0.5000  1.0
  Li  Li2  4  0.1341  0.5000  0.3243  1.0
  Hg  Hg3  4  0.0000  0.3163  0.0000  1.0
  Ge  Ge4  2  0.0000  0.0000  0.5000  1.0
]