data_[Hf12Cu4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1210]
_cell_length_b [3.3214]
_cell_length_c [7.7371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3CuNi]
_chemical_formula_sum '[Hf12 Cu4 Ni4]'
_cell_volume [362.8411]
_cell_formula_units_Z [4]
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  4  0.0551  0.0000  0.2898  1
  Hf  Hf1  4  0.0966  0.5000  0.9384  1
  Hf  Hf2  4  0.2373  0.0000  0.6769  1
  Cu  Cu3  4  0.0883  0.5000  0.5678  1
  Ni  Ni4  4  0.2089  0.0000  0.0874  1
]