data_[Hf16Al2Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9332]
_cell_length_b [12.4182]
_cell_length_c [4.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8AlNi2]
_chemical_formula_sum '[Hf16 Al2 Ni4]'
_cell_volume [442.1106]
_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  8  0.1975  0.1197  0.0842  1
  Hf  Hf1  4  0.0000  0.2396  0.5000  1
  Hf  Hf2  4  0.1127  0.5000  0.3125  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Ni  Ni4  4  0.0000  0.3143  0.0000  1
]