data_[Hf2Ta1Ti4Nb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  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 [5.1576]
_cell_length_b [5.3032]
_cell_length_c [7.2989]
_cell_angle_alpha [81.3356]
_cell_angle_beta [74.4227]
_cell_angle_gamma [62.5872]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf2Ta(Ti2Nb)2]
_chemical_formula_sum '[Hf2 Ta1 Ti4 Nb2]'
_cell_volume [170.6255]
_cell_formula_units_Z [1]
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  0.2972  0.3567  0.0556  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  2  0.2562  0.9079  0.3172  1.0
  Ti  Ti3  2  0.3436  0.6776  0.6745  1.0
  Nb  Nb4  2  0.1782  0.2690  0.6113  1.0
]