data_[Mg24Ag8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1679]
_cell_length_b [9.0836]
_cell_length_c [7.8895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg3AgIr]
_chemical_formula_sum '[Mg24 Ag8 Ir8]'
_cell_volume [700.9953]
_cell_formula_units_Z [8]
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  8  0.0795  0.1245  0.6422  1
  Mg  Mg1  8  0.0819  0.3689  0.1323  1
  Mg  Mg2  8  0.2128  0.3842  0.5565  1
  Ag  Ag3  8  0.2054  0.1250  0.0600  1
  Ir  Ir4  4  0.0000  0.1315  0.2500  1
  Ir  Ir5  4  0.0000  0.3883  0.7500  1
]