data_[Na8Ni12Sn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3647]
_cell_length_b [26.0361]
_cell_length_c [7.1390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2Ni3Sn5]
_chemical_formula_sum '[Na8 Ni12 Sn20]'
_cell_volume [811.2711]
_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
[
  Na  Na0  4  0.0000  0.1718  0.2241  1
  Na  Na1  4  0.0000  0.4763  0.2595  1
  Ni  Ni2  4  0.0000  0.0504  0.4704  1
  Ni  Ni3  4  0.0000  0.2225  0.7219  1
  Ni  Ni4  4  0.0000  0.3937  0.5129  1
  Sn  Sn5  4  0.0000  0.0473  0.0919  1
  Sn  Sn6  4  0.0000  0.1204  0.7552  1
  Sn  Sn7  4  0.0000  0.2904  0.0094  1
  Sn  Sn8  4  0.0000  0.2957  0.4371  1
  Sn  Sn9  4  0.0000  0.4050  0.8824  1
]