data_[Ce8Ir4Cl6]
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 [7.0424]
_cell_length_b [4.0644]
_cell_length_c [17.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4Ir2Cl3]
_chemical_formula_sum '[Ce8 Ir4 Cl6]'
_cell_volume [500.4874]
_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  0.0044  0.0000  0.3044  1.0
  Ce  Ce1  4  0.1646  0.5000  0.8758  1.0
  Ir  Ir2  4  0.1698  0.5000  0.2107  1.0
  Cl  Cl3  4  0.1612  0.5000  0.5954  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]