data_[K2As2Pd2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.1103]
_cell_length_b [12.2859]
_cell_length_c [7.7568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KAsPdI6]
_chemical_formula_sum '[K2 As2 Pd2 I12]'
_cell_volume [765.4341]
_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  2  0.0000  0.9722  0.5000  1.0
  As  As1  2  0.0000  0.3174  0.0000  1.0
  Pd  Pd2  2  0.0000  0.6689  0.0000  1.0
  I  I3  4  0.1189  0.5150  0.2220  1.0
  I  I4  4  0.1631  0.1868  0.2553  1.0
  I  I5  4  0.1939  0.8195  0.1722  1.0
]