data_[Hf2Nb2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.0133]
_cell_length_b [4.4748]
_cell_length_c [7.7498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfNbCu]
_chemical_formula_sum '[Hf2 Nb2 Cu2]'
_cell_volume [104.2960]
_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  0.0022  0.2500  0.7904  1.0
  Nb  Nb1  2  0.3386  0.2500  0.4287  1.0
  Cu  Cu2  2  0.4650  0.7500  0.9080  1.0
]