data_[K1Nb1Te1Pd1I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1381]
_cell_length_b [4.1381]
_cell_length_c [9.6910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [KNbTePdI]
_chemical_formula_sum '[K1 Nb1 Te1 Pd1 I1]'
_cell_volume [143.7130]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.4894  1
  Nb  Nb1  1  0.0000  0.0000  0.0612  1
  Te  Te2  1  0.6667  0.3333  0.2324  1
  Pd  Pd3  1  0.3333  0.6667  0.9486  1
  I  I4  1  0.0000  0.0000  0.7488  1
]