data_[Li12Sn2Hg4]
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 [Pnnm]
_cell_length_a [8.3482]
_cell_length_b [8.5575]
_cell_length_c [4.6728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li6SnHg2]
_chemical_formula_sum '[Li12 Sn2 Hg4]'
_cell_volume [333.8220]
_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  0.0150  0.8247  0.0000  1.0
  Li  Li1  4  0.1665  0.9498  0.5000  1.0
  Li  Li2  4  0.1761  0.6134  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  4  0.1504  0.2714  0.5000  1.0
]