data_[Mg12Ir4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4823]
_cell_length_b [13.4376]
_cell_length_c [6.2528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg3IrPd2]
_chemical_formula_sum '[Mg12 Ir4 Pd8]'
_cell_volume [376.6194]
_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
[
  Mg  Mg0  8  0.0000  0.1683  0.2443  1
  Mg  Mg1  4  0.0000  0.5000  0.2441  1
  Ir  Ir2  4  0.0000  0.3338  0.0000  1
  Pd  Pd3  4  0.0000  0.3351  0.5000  1
  Pd  Pd4  2  0.0000  0.0000  0.0000  1
  Pd  Pd5  2  0.0000  0.0000  0.5000  1
]