data_[Ti8Nb2Zn2]
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 [9.3974]
_cell_length_b [3.7343]
_cell_length_c [6.0943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4NbZn]
_chemical_formula_sum '[Ti8 Nb2 Zn2]'
_cell_volume [200.8676]
_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  4  0.1652  0.5000  0.3393  1
  Ti  Ti1  4  0.1656  0.5000  0.8268  1
  Nb  Nb2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  2  0.0000  0.0000  0.5000  1
]