data_[Ce12Ir4Ru2Cl6]
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
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8296]
_cell_length_b [4.0441]
_cell_length_c [8.7335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Ir2RuCl3]
_chemical_formula_sum '[Ce12 Ir4 Ru2 Cl6]'
_cell_volume [627.7848]
_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  0.0076  0.0000  0.2235  1
  Ce  Ce1  4  0.1551  0.5000  0.1026  1
  Ce  Ce2  4  0.1755  0.5000  0.5594  1
  Ir  Ir3  4  0.1662  0.0000  0.3320  1
  Ru  Ru4  2  0.0000  0.5000  0.0000  1
  Cl  Cl5  4  0.1663  0.0000  0.8324  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]