data_[Hf1Zr1Al2Cu4]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2030]
_cell_length_b [4.2030]
_cell_length_c [7.9763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [HfZr(AlCu2)2]
_chemical_formula_sum '[Hf1 Zr1 Al2 Cu4]'
_cell_volume [122.0262]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Zr  Zr1  1  0.3333  0.6667  0.5000  1
  Al  Al2  2  0.6667  0.3333  0.2501  1
  Cu  Cu3  2  0.0000  0.0000  0.3377  1
  Cu  Cu4  2  0.3333  0.6667  0.1587  1
]