data_[K4Pu2Ga2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2258]
_cell_length_b [8.9197]
_cell_length_c [14.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2PuGaI6]
_chemical_formula_sum '[K4 Pu2 Ga2 I12]'
_cell_volume [884.3049]
_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  0.2897  0.0922  0.2524  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  2  0.5000  0.0000  0.0000  1
  I  I3  4  0.1206  0.0361  0.7433  1
  I  I4  4  0.2332  0.7004  0.5590  1
  I  I5  4  0.3676  0.1860  0.5610  1
]