data_[La2Tl4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5365]
_cell_length_b [4.6582]
_cell_length_c [8.5326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTl2(HgTe2)2]
_chemical_formula_sum '[La2 Tl4 Hg4 Te8]'
_cell_volume [624.5920]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1298  0.0000  0.5541  1.0
  Hg  Hg2  4  0.1644  0.5000  0.9872  1.0
  Te  Te3  4  0.0001  0.5000  0.2673  1.0
  Te  Te4  4  0.2088  0.0000  0.2097  1.0
]