data_[Fe2Ge8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5405]
_cell_length_b [3.1461]
_cell_length_c [6.4961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe(Ge2Ir)2]
_chemical_formula_sum '[Fe2 Ge8 Ir4]'
_cell_volume [230.5939]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.0000  1
  Ge  Ge1  4  0.0901  0.5000  0.2977  1
  Ge  Ge2  4  0.1456  0.0000  0.8617  1
  Ir  Ir3  4  0.2393  0.5000  0.6925  1
]