data_[K2Ce2Ga2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [7.8603]
_cell_length_b [7.8603]
_cell_length_c [14.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [KCeGaI6]
_chemical_formula_sum '[K2 Ce2 Ga2 I12]'
_cell_volume [892.5615]
_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  0.0000  0.9968  1.0
  Ce  Ce1  2  0.0000  0.0000  0.3319  1.0
  Ga  Ga2  2  0.0000  0.0000  0.6614  1.0
  I  I3  4  0.1802  0.8198  0.4941  1.0
  I  I4  4  0.2022  0.7978  0.1883  1.0
  I  I5  4  0.2254  0.7746  0.8226  1.0
]