data_[Ge16Ir8]
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
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [11.6465]
_cell_length_b [5.8973]
_cell_length_c [5.9198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ge2Ir]
_chemical_formula_sum '[Ge16 Ir8]'
_cell_volume [406.5878]
_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  0.1499  0.8493  1
  Ge  Ge1  8  0.2500  0.2479  0.2500  1
  Ir  Ir2  8  0.1191  0.0000  0.5000  1
]