data_[Ce12Ir2Os6]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.4781]
_cell_length_b [4.0385]
_cell_length_c [11.6562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce6IrOs3]
_chemical_formula_sum '[Ce12 Ir2 Os6]'
_cell_volume [508.9803]
_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  0.0741  0.2500  0.8957  1.0
  Ce  Ce1  2  0.1080  0.7500  0.4468  1.0
  Ce  Ce2  2  0.2206  0.2500  0.2416  1.0
  Ce  Ce3  2  0.2631  0.2500  0.7276  1.0
  Ce  Ce4  2  0.3931  0.7500  0.0554  1.0
  Ce  Ce5  2  0.4600  0.7500  0.6045  1.0
  Ir  Ir6  2  0.0558  0.7500  0.6871  1.0
  Os  Os7  2  0.1591  0.7500  0.0766  1.0
  Os  Os8  2  0.3025  0.2500  0.4905  1.0
  Os  Os9  2  0.4411  0.7500  0.8306  1.0
]