data_[Na2Ce2Ga4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [8.0368]
_cell_length_b [8.8108]
_cell_length_c [14.0242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCe(GaI3)2]
_chemical_formula_sum '[Na2 Ce2 Ga4 I12]'
_cell_volume [834.4607]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.3184  0.1054  0.3067  1
  I  I3  4  0.0990  0.0568  0.7472  1
  I  I4  4  0.2619  0.7042  0.5848  1
  I  I5  4  0.3792  0.1781  0.5492  1
]