data_[Mg9Zn24Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0948]
_cell_length_b [5.0948]
_cell_length_c [25.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mg3Zn8Ir]
_chemical_formula_sum '[Mg9 Zn24 Ir3]'
_cell_volume [564.0037]
_cell_formula_units_Z [3]
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
[
  Mg  Mg0  3  0.0000  0.0000  0.3752  1.0
  Mg  Mg1  3  0.0000  0.0000  0.5050  1.0
  Mg  Mg2  3  0.0000  0.0000  0.9914  1.0
  Zn  Zn3  9  0.0042  0.5021  0.4405  1.0
  Zn  Zn4  9  0.1669  0.8331  0.2689  1.0
  Zn  Zn5  3  0.0000  0.0000  0.1880  1.0
  Zn  Zn6  3  0.0000  0.0000  0.6882  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8741  1.0
]