data_[Ge8Ir16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.4840]
_cell_length_b [7.7592]
_cell_length_c [8.1631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [GeIr2Pd]
_chemical_formula_sum '[Ge8 Ir16 Pd8]'
_cell_volume [474.0325]
_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
[
  Ge  Ge0  8  0.0000  0.0000  0.2485  1
  Pd  Pd1  8  0.0000  0.1923  0.0000  1
  Ir  Ir2  8  0.1875  0.0000  0.5000  1
  Ir  Ir3  8  0.2500  0.2500  0.2500  1
]