data_[Ti14Nb4Zn4]
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 [C2/m]
_cell_length_a [7.0421]
_cell_length_b [7.5670]
_cell_length_c [7.4203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7(NbZn)2]
_chemical_formula_sum '[Ti14 Nb4 Zn4]'
_cell_volume [379.3245]
_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  8  0.2325  0.3152  0.1990  1.0
  Ti  Ti1  4  0.1432  0.0000  0.4120  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb3  4  0.1045  0.5000  0.8416  1.0
  Zn  Zn4  4  0.0000  0.3207  0.5000  1.0
]