data_[Ti2Nb2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.8262]
_cell_length_b [5.4703]
_cell_length_c [6.7616]
_cell_angle_alpha [100.4149]
_cell_angle_beta [100.0556]
_cell_angle_gamma [97.2876]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiNbZn]
_chemical_formula_sum '[Ti2 Nb2 Zn2]'
_cell_volume [99.8697]
_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
[
  Ti  Ti0  2  0.1760  0.0847  0.8304  1.0
  Nb  Nb1  2  0.1423  0.5832  0.8282  1.0
  Zn  Zn2  2  0.4949  0.2459  0.4984  1.0
]