data_[K6Pa9In3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1564]
_cell_length_b [8.1564]
_cell_length_c [18.9290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Pa3InO12]
_chemical_formula_sum '[K6 Pa9 In3 O36]'
_cell_volume [1090.5775]
_cell_formula_units_Z [3]
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  0.3283  1
  Pa  Pa1  9  0.0000  0.5000  0.5000  1
  In  In2  3  0.0000  0.0000  0.0000  1
  O  O3  18  0.0762  0.5381  0.6040  1
  O  O4  18  0.0964  0.5482  0.8625  1
]