data_[K4Ce2Ga2I12]
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 [P2_1/c]
_cell_length_a [8.3050]
_cell_length_b [8.9568]
_cell_length_c [14.5650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2CeGaI6]
_chemical_formula_sum '[K4 Ce2 Ga2 I12]'
_cell_volume [902.5721]
_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  0.2923  0.5934  0.7541  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1168  0.5373  0.2451  1.0
  I  I4  4  0.2394  0.1995  0.0637  1.0
  I  I5  4  0.3701  0.6851  0.0607  1.0
]