data_[Ce2Dy2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6279]
_cell_length_b [14.4270]
_cell_length_c [7.6204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeDyI6]
_chemical_formula_sum '[Ce2 Dy2 I12]'
_cell_volume [798.2224]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Dy  Dy1  2  0.0000  0.5000  0.5000  1
  I  I2  8  0.2393  0.3516  0.7427  1
  I  I3  4  0.2483  0.5000  0.2563  1
]