data_[Na6Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0798]
_cell_length_b [9.0798]
_cell_length_c [13.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Zn17]
_chemical_formula_sum '[Na6 Zn51]'
_cell_volume [956.5190]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.3411  1.0
  Zn  Zn1  18  0.0000  0.3003  0.0000  1.0
  Zn  Zn2  18  0.0040  0.5020  0.1521  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Zn  Zn4  6  0.0000  0.0000  0.1015  1.0
]