data_[Hf8Ni28]
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 [4.6606]
_cell_length_b [8.1711]
_cell_length_c [12.0536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Ni7]
_chemical_formula_sum '[Hf8 Ni28]'
_cell_volume [456.8641]
_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  0.2135  0.0000  0.6147  1
  Hf  Hf1  4  0.2303  0.5000  0.1139  1
  Ni  Ni2  8  0.0119  0.2510  0.2498  1
  Ni  Ni3  8  0.1997  0.3351  0.5778  1
  Ni  Ni4  8  0.2157  0.1638  0.0778  1
  Ni  Ni5  4  0.2411  0.5000  0.7498  1
]