data_[K4Pa2Br8F4]
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
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1915]
_cell_length_b [8.0963]
_cell_length_c [5.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pa(Br2F)2]
_chemical_formula_sum '[K4 Pa2 Br8 F4]'
_cell_volume [563.4624]
_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  0.1794  0.5000  0.8314  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.1076  0.2592  0.2916  1
  F  F3  4  0.1374  0.0000  0.7852  1
]