data_[Ti8Zn2Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.4845]
_cell_length_b [7.4845]
_cell_length_c [7.4845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Ti4ZnNi12]
_chemical_formula_sum '[Ti8 Zn2 Ni24]'
_cell_volume [419.2689]
_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  0.2500  0.2500  0.2500  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  12  0.0000  0.0000  0.3012  1
  Ni  Ni3  12  0.0000  0.2500  0.5000  1
]