data_[Ce6Zn14Ir8]
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 [C2/m]
_cell_length_a [15.4055]
_cell_length_b [4.0946]
_cell_length_c [9.8293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Zn7Ir4]
_chemical_formula_sum '[Ce6 Zn14 Ir8]'
_cell_volume [514.2876]
_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  0.2012  0.5000  0.2180  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  4  0.0164  0.5000  0.8127  1
  Zn  Zn3  4  0.1594  0.0000  0.9301  1
  Zn  Zn4  4  0.1755  0.5000  0.5080  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
  Ir  Ir6  4  0.1086  0.0000  0.3107  1
  Ir  Ir7  4  0.1615  0.5000  0.7600  1
]