data_[Hf2Ti2Nb2]
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
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9894]
_cell_length_b [5.7123]
_cell_length_c [7.1646]
_cell_angle_alpha [77.4902]
_cell_angle_beta [81.2060]
_cell_angle_gamma [77.0739]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfTiNb]
_chemical_formula_sum '[Hf2 Ti2 Nb2]'
_cell_volume [115.7126]
_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  0.0893  0.5874  0.1826  1.0
  Ti  Ti1  2  0.3407  0.7654  0.5056  1.0
  Nb  Nb2  2  0.4602  0.9213  0.8388  1.0
]