data_[K4Ti2Zn2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.8565]
_cell_length_b [7.8565]
_cell_length_c [10.0884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [K2TiZnTe4]
_chemical_formula_sum '[K4 Ti2 Zn2 Te8]'
_cell_volume [622.7000]
_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  2  0.0000  0.0000  0.0000  1.0
  K  K1  2  0.0000  0.5000  0.2500  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.5000  0.7500  1.0
  Te  Te4  8  0.1601  0.7560  0.6271  1.0
]