data_[Cs4Pa2I8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pa  1.5000  1.8000  1.0400
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4268]
_cell_length_b [8.9336]
_cell_length_c [6.6656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pa(I2F)2]
_chemical_formula_sum '[Cs4 Pa2 I8 F4]'
_cell_volume [777.8457]
_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
[
  Cs  Cs0  4  0.1748  0.5000  0.8335  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  I  I2  8  0.1013  0.2534  0.2977  1
  F  F3  4  0.1276  0.0000  0.7523  1
]