data_[Li10Sn2Hg12]
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 [4.7452]
_cell_length_b [7.0784]
_cell_length_c [14.2968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li5SnHg6]
_chemical_formula_sum '[Li10 Sn2 Hg12]'
_cell_volume [480.2075]
_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  0.0000  0.3290  1.0
  Li  Li1  4  0.0000  0.5000  0.3459  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  8  0.0000  0.2716  0.1777  1.0
  Hg  Hg5  4  0.0000  0.2203  0.5000  1.0
]