data_[Na6Zn16Ga6]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4033]
_cell_length_b [9.2662]
_cell_length_c [13.1801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na3Zn8Ga3]
_chemical_formula_sum '[Na6 Zn16 Ga6]'
_cell_volume [537.7741]
_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  4  0.0000  0.0000  0.1973  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2816  0.3661  1.0
  Zn  Zn3  8  0.0000  0.3590  0.1727  1.0
  Ga  Ga4  4  0.0000  0.2154  0.0000  1.0
  Ga  Ga5  2  0.0000  0.5000  0.5000  1.0
]