data_[Li2Ti2Hg6Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5810]
_cell_length_b [8.3454]
_cell_length_c [11.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTiHg3Te4]
_chemical_formula_sum '[Li2 Ti2 Hg6 Te8]'
_cell_volume [676.1873]
_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  0.4503  0.7500  0.2444  1
  Ti  Ti1  2  0.4958  0.2500  0.2582  1
  Hg  Hg2  4  0.1718  0.5058  0.5877  1
  Hg  Hg3  2  0.1586  0.2500  0.4012  1
  Te  Te4  4  0.3727  0.5018  0.8378  1
  Te  Te5  2  0.1495  0.2500  0.1484  1
  Te  Te6  2  0.4056  0.7500  0.4914  1
]