data_[Ce12Ir6Os2]
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 [11.3775]
_cell_length_b [4.0435]
_cell_length_c [11.8332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce6Ir3Os]
_chemical_formula_sum '[Ce12 Ir6 Os2]'
_cell_volume [513.3280]
_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  0.0795  0.7500  0.8878  1
  Ce  Ce1  2  0.1066  0.2500  0.4487  1
  Ce  Ce2  2  0.2027  0.7500  0.2392  1
  Ce  Ce3  2  0.2541  0.7500  0.7227  1
  Ce  Ce4  2  0.3932  0.2500  0.0588  1
  Ce  Ce5  2  0.4705  0.2500  0.6116  1
  Os  Os6  2  0.0459  0.2500  0.6888  1
  Ir  Ir7  2  0.1507  0.2500  0.0699  1
  Ir  Ir8  2  0.3085  0.7500  0.4971  1
  Ir  Ir9  2  0.4341  0.2500  0.8334  1
]