data_[Hf3Al3Cu1Ir1Rh1]
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
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.1850]
_cell_length_b [7.1850]
_cell_length_c [3.4039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Hf3Al3CuIrRh]
_chemical_formula_sum '[Hf3 Al3 Cu1 Ir1 Rh1]'
_cell_volume [152.1816]
_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  3  0.4027  0.4026  0.0000  1
  Al  Al1  3  0.0007  0.2555  0.5000  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Ir  Ir3  1  0.6667  0.3333  0.5000  1
  Rh  Rh4  1  0.3333  0.6667  0.5000  1
]