data_[Li12Ag6Hg2]
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 [P2_1/m]
_cell_length_a [8.0379]
_cell_length_b [4.4389]
_cell_length_c [9.5158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li6Ag3Hg]
_chemical_formula_sum '[Li12 Ag6 Hg2]'
_cell_volume [332.0826]
_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  0.0575  0.7500  0.9044  1
  Li  Li1  2  0.1525  0.7500  0.2058  1
  Li  Li2  2  0.1611  0.2500  0.7037  1
  Li  Li3  2  0.2554  0.7500  0.5128  1
  Li  Li4  2  0.3635  0.2500  0.3036  1
  Li  Li5  2  0.4580  0.7500  0.1004  1
  Ag  Ag6  2  0.2500  0.2500  0.0065  1
  Ag  Ag7  2  0.3538  0.7500  0.8073  1
  Ag  Ag8  2  0.4551  0.2500  0.6003  1
  Hg  Hg9  2  0.0558  0.2500  0.3912  1
]