data_[Hf4Tl4Bi2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3764]
_cell_length_b [12.7166]
_cell_length_c [8.6212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Tl2BiTe6]
_chemical_formula_sum '[Hf4 Tl4 Bi2 Te12]'
_cell_volume [784.8303]
_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
[
  Hf  Hf0  4  0.0000  0.3472  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1621  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2339  0.1811  0.6983  1.0
  Te  Te4  4  0.2103  0.5000  0.7196  1.0
]