data_[Li20Sn4Hg4]
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 [C2/c]
_cell_length_a [6.9535]
_cell_length_b [7.8534]
_cell_length_c [10.1010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5SnHg]
_chemical_formula_sum '[Li20 Sn4 Hg4]'
_cell_volume [519.3120]
_cell_formula_units_Z [4]
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  0.1168  0.3502  0.0326  1.0
  Li  Li1  8  0.2066  0.2011  0.3460  1.0
  Li  Li2  4  0.0000  0.1277  0.7500  1.0
  Sn  Sn3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.4866  0.7500  1.0
]