data_[K4Sb4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [11.5454]
_cell_length_b [9.4606]
_cell_length_c [6.5122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [KSbTe2]
_chemical_formula_sum '[K4 Sb4 Te8]'
_cell_volume [711.3046]
_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  0.1308  0.0446  0.5610  1.0
  Sb  Sb1  4  0.0401  0.6329  0.5260  1.0
  Te  Te2  4  0.0711  0.6379  0.0817  1.0
  Te  Te3  4  0.1434  0.1807  0.0582  1.0
]