data_[Zr2Ti4Al6Ni2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1106]
_cell_length_b [12.5942]
_cell_length_c [7.1566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrTi2Al3NiIr2]
_chemical_formula_sum '[Zr2 Ti4 Al6 Ni2 Ir4]'
_cell_volume [280.3578]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.6068  1
  Ti  Ti1  4  0.0000  0.1958  0.1982  1
  Al  Al2  4  0.5000  0.1339  0.8748  1
  Al  Al3  2  0.5000  0.0000  0.2554  1
  Ni  Ni4  2  0.0000  0.0000  0.9980  1
  Ir  Ir5  4  0.5000  0.1717  0.4969  1
]