data_[Hf12Be24Ni80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8641]
_cell_length_b [10.8641]
_cell_length_c [10.8641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Hf3(Be3Ni10)2]
_chemical_formula_sum '[Hf12 Be24 Ni80]'
_cell_volume [1282.2855]
_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  8  0.2500  0.2500  0.2500  1
  Hf  Hf1  4  0.0000  0.0000  0.0000  1
  Be  Be2  24  0.0000  0.0000  0.2696  1
  Ni  Ni3  48  0.0000  0.1727  0.1727  1
  Ni  Ni4  32  0.1170  0.3830  0.1170  1
]