data_[Ce12Zn4Ir2]
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 [P2_1/c]
_cell_length_a [5.9324]
_cell_length_b [8.5896]
_cell_length_c [9.9823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6Zn2Ir]
_chemical_formula_sum '[Ce12 Zn4 Ir2]'
_cell_volume [436.6585]
_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  0.0500  0.0464  0.1955  1
  Ce  Ce1  4  0.1225  0.7015  0.0211  1
  Ce  Ce2  4  0.3338  0.1745  0.9967  1
  Zn  Zn3  4  0.4096  0.0764  0.7357  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]