data_[Hf4Zr4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5247]
_cell_length_b [3.8647]
_cell_length_c [5.1875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZrNi]
_chemical_formula_sum '[Hf4 Zr4 Ni4]'
_cell_volume [229.8582]
_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  0.1486  0.0000  0.3245  1
  Zr  Zr1  4  0.0772  0.5000  0.7717  1
  Ni  Ni2  4  0.2352  0.0000  0.8461  1
]