data_[Li16Sn10Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.8534]
_cell_length_b [7.8534]
_cell_length_c [9.4086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li8Sn5Hg]
_chemical_formula_sum '[Li16 Sn10 Hg2]'
_cell_volume [580.2840]
_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  0.0697  0.8344  0.2445  1.0
  Li  Li1  8  0.0855  0.6841  0.6407  1.0
  Sn  Sn2  8  0.1321  0.7669  0.9477  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.2500  1.0
]