data_[Y8Al4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0728]
_cell_length_b [5.4918]
_cell_length_c [7.6902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2AlIr2]
_chemical_formula_sum '[Y8 Al4 Ir8]'
_cell_volume [413.2790]
_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  8  0.1461  0.3544  0.1475  1.0
  Al  Al1  4  0.0000  0.1207  0.7500  1.0
  Ir  Ir2  8  0.1336  0.1424  0.5077  1.0
]