data_[Mg8Zn8Ir2]
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 [Cm]
_cell_length_a [7.2213]
_cell_length_b [8.5392]
_cell_length_c [5.4829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg4Zn4Ir]
_chemical_formula_sum '[Mg8 Zn8 Ir2]'
_cell_volume [329.0824]
_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
[
  Mg  Mg0  4  0.1345  0.2989  0.1522  1
  Mg  Mg1  2  0.1039  0.5000  0.6548  1
  Mg  Mg2  2  0.2529  0.0000  0.8653  1
  Zn  Zn3  4  0.3778  0.2616  0.6907  1
  Zn  Zn4  2  0.2628  0.0000  0.3565  1
  Zn  Zn5  2  0.4244  0.5000  0.4451  1
  Ir  Ir6  2  0.4316  0.5000  0.9926  1
]