data_[Ce4Zn2Ir2]
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/m]
_cell_length_a [6.0463]
_cell_length_b [4.0062]
_cell_length_c [8.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2ZnIr]
_chemical_formula_sum '[Ce4 Zn2 Ir2]'
_cell_volume [190.0986]
_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  0.2122  0.2500  0.9101  1
  Ce  Ce1  2  0.2245  0.2500  0.4493  1
  Zn  Zn2  2  0.3576  0.7500  0.2112  1
  Ir  Ir3  2  0.3047  0.7500  0.7054  1
]