data_[Y8Ge8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [10.5550]
_cell_length_b [4.3046]
_cell_length_c [10.3196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ge2Ir]
_chemical_formula_sum '[Y8 Ge8 Ir4]'
_cell_volume [418.5838]
_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
[
  Y  Y0  4  0.0082  0.0000  0.3299  1.0
  Y  Y1  4  0.1893  0.0000  0.1174  1.0
  Ge  Ge2  4  0.0201  0.5000  0.8839  1.0
  Ge  Ge3  4  0.1485  0.5000  0.5529  1.0
  Ir  Ir4  4  0.2272  0.5000  0.3358  1.0
]