data_[Ce12In2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6829]
_cell_length_b [4.6690]
_cell_length_c [9.0364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6InIr2]
_chemical_formula_sum '[Ce12 In2 Ir4]'
_cell_volume [450.4524]
_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  0.0724  0.0000  0.8629  1.0
  Ce  Ce1  4  0.0966  0.5000  0.1791  1.0
  Ce  Ce2  4  0.2094  0.5000  0.5940  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir4  4  0.2421  0.5000  0.8872  1.0
]