data_[Na8Zn20Ga16]
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 [Fmmm]
_cell_length_a [5.4603]
_cell_length_b [9.5486]
_cell_length_c [16.6785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na2Zn5Ga4]
_chemical_formula_sum '[Na8 Zn20 Ga16]'
_cell_volume [869.5853]
_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  0.0000  0.1230  1
  Zn  Zn1  8  0.2500  0.2500  0.0000  1
  Zn  Zn2  8  0.2500  0.2500  0.2500  1
  Zn  Zn3  4  0.0000  0.0000  0.5000  1
  Ga  Ga4  16  0.0000  0.1539  0.3702  1
]