data_[Ni32Sn4]
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/m]
_cell_length_a [7.7927]
_cell_length_b [3.5214]
_cell_length_c [28.3200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni8Sn]
_chemical_formula_sum '[Ni32 Sn4]'
_cell_volume [777.1195]
_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  4  0.0499  0.5000  0.9037  1
  Ni  Ni1  4  0.0499  0.0000  0.0411  1
  Ni  Ni2  4  0.0521  0.5000  0.1796  1
  Ni  Ni3  4  0.1486  0.0000  0.8481  1
  Ni  Ni4  4  0.1499  0.5000  0.9861  1
  Ni  Ni5  4  0.1520  0.0000  0.1235  1
  Ni  Ni6  4  0.2479  0.0000  0.2070  1
  Ni  Ni7  4  0.2496  0.5000  0.0684  1
  Sn  Sn8  4  0.0518  0.0000  0.7537  1
]