data_[Li4Zn2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4185]
_cell_length_b [4.1494]
_cell_length_c [7.7619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2ZnHg6]
_chemical_formula_sum '[Li4 Zn2 Hg12]'
_cell_volume [396.5761]
_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  0.0615  0.0000  0.8392  1.0
  Zn  Zn1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.1040  0.5000  0.1746  1.0
  Hg  Hg3  4  0.1469  0.0000  0.4915  1.0
  Hg  Hg4  4  0.2120  0.5000  0.8305  1.0
]