data_[Y3Ta6Al3Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4203]
_cell_length_b [4.4203]
_cell_length_c [24.9591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [YTa2AlIr4]
_chemical_formula_sum '[Y3 Ta6 Al3 Ir12]'
_cell_volume [422.3357]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ta  Ta1  6  0.0000  0.0000  0.2418  1.0
  Al  Al2  3  -0.0000  -0.0000  0.5000  1.0
  Ir  Ir3  6  0.0000  0.0000  0.1329  1.0
  Ir  Ir4  6  0.0000  0.0000  0.4004  1.0
]