data_[Hf10Ni30]
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 [P6_3/mmc]
_cell_length_a [5.2619]
_cell_length_b [5.2619]
_cell_length_c [21.3601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [HfNi3]
_chemical_formula_sum '[Hf10 Ni30]'
_cell_volume [512.1758]
_cell_formula_units_Z [10]
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  0.3333  0.6667  0.1512  1
  Hf  Hf1  4  0.3333  0.6667  0.5459  1
  Hf  Hf2  2  0.0000  0.0000  0.2500  1
  Ni  Ni3  12  0.1561  0.3122  0.0513  1
  Ni  Ni4  12  0.1680  0.3361  0.6495  1
  Ni  Ni5  6  0.0220  0.5110  0.7500  1
]