data_[Yb8Si8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8074]
_cell_length_b [4.2569]
_cell_length_c [10.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Yb2Si2Ir]
_chemical_formula_sum '[Yb8 Si8 Ir4]'
_cell_volume [405.2346]
_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
[
  Yb  Yb0  4  0.0093  0.0000  0.6789  1.0
  Yb  Yb1  4  0.1889  0.0000  0.1080  1.0
  Si  Si2  4  0.0001  0.5000  0.8791  1.0
  Si  Si3  4  0.1486  0.5000  0.5592  1.0
  Ir  Ir4  4  0.2260  0.5000  0.3740  1.0
]