data_[Li2Ag2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7511]
_cell_length_b [10.9482]
_cell_length_c [6.2378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiAgHg6]
_chemical_formula_sum '[Li2 Ag2 Hg12]'
_cell_volume [410.4970]
_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  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.0229  0.2203  0.2628  1.0
  Hg  Hg3  4  0.0029  0.5000  0.2464  1.0
]