data_[K4Tl4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [17.1749]
_cell_length_b [4.8785]
_cell_length_c [8.2838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl2Te3]
_chemical_formula_sum '[K4 Tl4 Te6]'
_cell_volume [633.2014]
_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
[
  K  K0  4  0.1072  0.5000  0.8610  1
  Tl  Tl1  4  0.1720  0.0000  0.3032  1
  Te  Te2  4  0.2115  0.0000  0.7001  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
]