data_[Li8Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.2680]
_cell_length_b [6.6810]
_cell_length_c [6.8733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2HgTe2]
_chemical_formula_sum '[Li8 Hg4 Te8]'
_cell_volume [562.7115]
_cell_formula_units_Z [4]
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  0.0115  0.2413  0.0049  1.0
  Li  Li1  4  0.2527  0.7345  0.0046  1.0
  Hg  Hg2  4  0.3202  0.1803  0.9296  1.0
  Te  Te3  4  0.1222  0.5127  0.2549  1.0
  Te  Te4  4  0.3999  0.5254  0.7634  1.0
]