data_[K2Rb4Ce2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6630]
_cell_length_b [9.3127]
_cell_length_c [15.1727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KRb2CeI6]
_chemical_formula_sum '[K2 Rb4 Ce2 I12]'
_cell_volume [1013.5490]
_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
[
  Rb  Rb0  4  0.2863  0.5855  0.7524  1.0
  K  K1  2  0.5000  0.0000  0.0000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1105  0.5419  0.2353  1.0
  I  I4  4  0.2374  0.2131  0.0667  1.0
  I  I5  4  0.3538  0.6803  0.0577  1.0
]