data_[Na36Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4601]
_cell_length_b [9.4289]
_cell_length_c [29.2704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na9Sn4]
_chemical_formula_sum '[Na36 Sn16]'
_cell_volume [1506.9155]
_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  8  0.0000  0.1611  0.6368  1
  Na  Na1  8  0.0000  0.1684  0.0908  1
  Na  Na2  8  0.0000  0.1696  0.5220  1
  Na  Na3  8  0.0000  0.4973  0.6710  1
  Na  Na4  4  0.0000  0.1746  0.7500  1
  Sn  Sn5  8  0.0000  0.1654  0.2015  1
  Sn  Sn6  8  0.0000  0.4982  0.0507  1
]