data_[Na14Sn6]
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 [P6_3mc]
_cell_length_a [10.8402]
_cell_length_b [10.8402]
_cell_length_c [6.2626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Na7Sn3]
_chemical_formula_sum '[Na14 Sn6]'
_cell_volume [637.3156]
_cell_formula_units_Z [2]
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  6  0.0072  0.5036  0.1735  1.0
  Na  Na1  6  0.1342  0.2685  0.4136  1.0
  Na  Na2  2  0.3333  0.6667  0.4225  1.0
  Sn  Sn3  6  0.2356  0.4712  0.9080  1.0
]