data_[Hf4Ti4Nb4]
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 [Cmc2_1]
_cell_length_a [3.5245]
_cell_length_b [13.7041]
_cell_length_c [4.7837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfTiNb]
_chemical_formula_sum '[Hf4 Ti4 Nb4]'
_cell_volume [231.0527]
_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  0.0000  0.0794  0.6703  1.0
  Ti  Ti1  4  0.0000  0.2513  0.2492  1.0
  Nb  Nb2  4  0.0000  0.3996  0.6633  1.0
]