data_[Li2Sn4Hg2]
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 [Cm]
_cell_length_a [8.5416]
_cell_length_b [4.7206]
_cell_length_c [5.4595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiSn2Hg]
_chemical_formula_sum '[Li2 Sn4 Hg2]'
_cell_volume [197.9857]
_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  2  0.3540  0.5000  0.8015  1.0
  Sn  Sn1  2  0.0704  0.0000  0.4620  1.0
  Sn  Sn2  2  0.3159  0.0000  0.1813  1.0
  Hg  Hg3  2  0.0494  0.5000  0.8726  1.0
]