data_[Hf2Ti2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1314]
_cell_length_b [4.0487]
_cell_length_c [6.2494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfTiNi2]
_chemical_formula_sum '[Hf2 Ti2 Ni4]'
_cell_volume [120.5213]
_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  2  0.2806  0.7500  0.0810  1
  Ti  Ti1  2  0.2829  0.7500  0.5795  1
  Ni  Ni2  2  0.1632  0.2500  0.7753  1
  Ni  Ni3  2  0.1746  0.2500  0.3236  1
]