data_[Ce10Re2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Re  1.9000  1.3500  0.7125
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7176]
_cell_length_b [6.2682]
_cell_length_c [9.1266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5ReI5]
_chemical_formula_sum '[Ce10 Re2 I10]'
_cell_volume [737.7848]
_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  4  0.1391  0.0000  0.2753  1
  Ce  Ce1  4  0.1633  0.0000  0.8742  1
  Ce  Ce2  2  0.0000  0.5000  0.0000  1
  Re  Re3  2  0.0000  0.0000  0.0000  1
  I  I4  4  0.1469  0.5000  0.7905  1
  I  I5  4  0.1788  0.5000  0.3493  1
  I  I6  2  0.0000  0.0000  0.5000  1
]