data_[Y2Hf4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2213]
_cell_length_b [12.5005]
_cell_length_c [8.7149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YHf2(TlTe3)2]
_chemical_formula_sum '[Y2 Hf4 Tl4 Te12]'
_cell_volume [759.4133]
_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  2  0.0000  0.0000  0.5000  1.0
  Hf  Hf1  4  0.0000  0.3320  0.5000  1.0
  Tl  Tl2  4  0.0000  0.1588  0.0000  1.0
  Te  Te3  8  0.2412  0.1745  0.7079  1.0
  Te  Te4  4  0.2124  0.5000  0.7067  1.0
]