data_[Ce8Ir2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9232]
_cell_length_b [3.9409]
_cell_length_c [8.4383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4IrCl5]
_chemical_formula_sum '[Ce8 Ir2 Cl10]'
_cell_volume [581.9573]
_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  0.0054  0.0000  0.2275  1.0
  Ce  Ce1  4  0.1676  0.5000  0.0658  1.0
  Ir  Ir2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1625  0.0000  0.8077  1.0
  Cl  Cl4  4  0.1693  0.0000  0.3152  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]