data_[K4Pa2I4Br8]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1704]
_cell_length_b [7.9330]
_cell_length_c [8.1703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pa(IBr2)2]
_chemical_formula_sum '[K4 Pa2 I4 Br8]'
_cell_volume [774.0034]
_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  4  0.2498  0.5000  0.7045  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  I  I2  4  0.2416  0.0000  0.8492  1
  Br  Br3  8  0.0597  0.2475  0.3261  1
]