data_[Ta2Ti4Al10Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.8524]
_cell_length_b [8.8524]
_cell_length_c [4.0964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [TaTi2Al5Ir2]
_chemical_formula_sum '[Ta2 Ti4 Al10 Ir4]'
_cell_volume [321.0121]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  4  0.1728  0.6728  0.0000  1.0
  Al  Al2  8  0.0724  0.2054  0.5000  1.0
  Al  Al3  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir4  4  0.1247  0.3753  0.0000  1.0
]