data_[K4Hf4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/c]
_cell_length_a [8.2396]
_cell_length_b [16.7239]
_cell_length_c [7.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KHfTlTe3]
_chemical_formula_sum '[K4 Hf4 Tl4 Te12]'
_cell_volume [991.3473]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.0000  0.2291  0.7500  1.0
  Hf  Hf1  4  0.0000  0.0487  0.2500  1.0
  Tl  Tl2  4  0.0000  0.4120  0.2500  1.0
  Te  Te3  8  0.2267  0.0467  0.0082  1.0
  Te  Te4  4  0.0000  0.2125  0.2500  1.0
]