data_[Hf2Zr4Al6Cu2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4523]
_cell_length_b [12.4539]
_cell_length_c [7.2010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfZr2Al3CuIr2]
_chemical_formula_sum '[Hf2 Zr4 Al6 Cu2 Ir4]'
_cell_volume [309.6061]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.5977  1
  Zr  Zr1  4  0.0000  0.2011  0.2014  1
  Al  Al2  4  0.5000  0.1283  0.8715  1
  Al  Al3  2  0.5000  0.0000  0.2553  1
  Cu  Cu4  2  0.0000  0.0000  0.9983  1
  Ir  Ir5  4  0.5000  0.1646  0.5015  1
]