data_[Hf2Al2Fe1Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1556]
_cell_length_b [4.1556]
_cell_length_c [7.9985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Hf2Al2FeCu3]
_chemical_formula_sum '[Hf2 Al2 Fe1 Cu3]'
_cell_volume [119.6200]
_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  0.2452  1
  Hf  Hf1  1  0.3333  0.6667  0.7593  1
  Al  Al2  1  0.6667  0.3333  0.4963  1
  Al  Al3  1  0.6667  0.3333  0.9911  1
  Fe  Fe4  1  0.0000  0.0000  0.9169  1
  Cu  Cu5  1  0.0000  0.0000  0.5893  1
  Cu  Cu6  1  0.3333  0.6667  0.0905  1
  Cu  Cu7  1  0.3333  0.6667  0.4114  1
]