data_[Ti8Nb12Zn4]
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/c]
_cell_length_a [7.6480]
_cell_length_b [8.0653]
_cell_length_c [6.9247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti2Nb3Zn]
_chemical_formula_sum '[Ti8 Nb12 Zn4]'
_cell_volume [420.6885]
_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
[
  Ti  Ti0  8  0.1241  0.2490  0.6269  1
  Nb  Nb1  8  0.2376  0.4187  0.0088  1
  Nb  Nb2  4  0.0000  0.0846  0.2500  1
  Zn  Zn3  4  0.0000  0.4179  0.2500  1
]