data_[K12Te6Pd6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8740]
_cell_length_b [5.8740]
_cell_length_c [29.3563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2TePdO6]
_chemical_formula_sum '[K12 Te6 Pd6 O36]'
_cell_volume [877.2051]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1221  1
  K  K1  6  0.0000  0.0000  0.2834  1
  Te  Te2  3  -0.0000  -0.0000  0.5000  1
  Te  Te3  3  0.0000  0.0000  0.0000  1
  Pd  Pd4  6  0.0000  0.0000  0.4070  1
  O  O5  18  0.0250  0.5125  0.7071  1
  O  O6  18  0.0390  0.5195  0.1232  1
]