data_[Li8Sn6Hg8]
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 [Immm]
_cell_length_a [3.3201]
_cell_length_b [9.0546]
_cell_length_c [16.1023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Sn3Hg4]
_chemical_formula_sum '[Li8 Sn6 Hg8]'
_cell_volume [484.0674]
_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  0.2762  0.5000  1
  Li  Li1  4  0.0000  0.5000  0.2593  1
  Sn  Sn2  4  0.0000  0.0000  0.0910  1
  Sn  Sn3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  8  0.0000  0.1922  0.3364  1
]