data_[Zn24Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.5714]
_cell_length_b [12.2899]
_cell_length_c [4.7606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Zn3Ni2]
_chemical_formula_sum '[Zn24 Ni16]'
_cell_volume [501.4867]
_cell_formula_units_Z [8]
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
[
  Zn  Zn0  16  0.0443  0.1038  0.4119  1.0
  Zn  Zn1  8  0.0000  0.0000  0.9265  1.0
  Ni  Ni2  16  0.0268  0.2001  0.8748  1.0
]