data_[Ni8Sn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4340]
_cell_length_b [6.5570]
_cell_length_c [6.5043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni2Sn5]
_chemical_formula_sum '[Ni8 Sn20]'
_cell_volume [598.6113]
_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
[
  Ni  Ni0  8  0.1158  0.2688  0.5947  1.0
  Sn  Sn1  8  0.0914  0.1059  0.9499  1.0
  Sn  Sn2  8  0.2117  0.3955  0.2861  1.0
  Sn  Sn3  4  0.0000  0.4393  0.2500  1.0
]