data_[Hf4Ni14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.6519]
_cell_length_b [8.1757]
_cell_length_c [6.2510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Ni7]
_chemical_formula_sum '[Hf4 Ni14]'
_cell_volume [228.3841]
_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  4  0.1059  0.0000  0.7707  1.0
  Ni  Ni1  8  0.1277  0.3351  0.8448  1.0
  Ni  Ni2  4  0.2500  0.2500  0.5000  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
]