data_[K6Pa2I12Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4217]
_cell_length_b [9.4275]
_cell_length_c [7.6320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pa(I3Cl)2]
_chemical_formula_sum '[K6 Pa2 I12 Cl4]'
_cell_volume [1237.4849]
_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  0.2500  0.2500  0.5000  1
  K  K1  2  0.0000  0.5000  0.0000  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  I  I3  8  0.1003  0.2221  0.7406  1
  I  I4  4  0.0944  0.0000  0.2565  1
  Cl  Cl5  4  0.1587  0.5000  0.2947  1
]