data_[Ce16Mg4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1631]
_cell_length_b [11.8626]
_cell_length_c [5.7654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4MgIr]
_chemical_formula_sum '[Ce16 Mg4 Ir4]'
_cell_volume [601.0489]
_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  0.1331  0.1910  0.5781  1
  Ce  Ce1  8  0.2397  0.3827  0.8837  1
  Mg  Mg2  4  0.0000  0.4096  0.2500  1
  Ir  Ir3  4  0.0000  0.0050  0.2500  1
]