data_[Ce12Zn8Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8884]
_cell_length_b [12.3812]
_cell_length_c [13.7483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Zn2Ir3]
_chemical_formula_sum '[Ce12 Zn8 Ir12]'
_cell_volume [661.8893]
_cell_formula_units_Z [4]
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  8  0.0000  0.0725  0.6133  1.0
  Ce  Ce1  4  0.0000  0.3455  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2323  0.0756  1.0
  Ir  Ir3  8  0.0000  0.4030  0.5508  1.0
  Ir  Ir4  4  0.0000  0.3374  0.2500  1.0
]