data_[Y4Tl6Hg2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.7394]
_cell_length_b [13.4730]
_cell_length_c [8.2894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Tl3HgTe6]
_chemical_formula_sum '[Y4 Tl6 Hg2 Te12]'
_cell_volume [821.7571]
_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
[
  Y  Y0  4  0.0000  0.3338  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1717  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2401  0.1680  0.2187  1.0
  Te  Te5  4  0.2384  0.5000  0.2207  1.0
]