data_[Na8Ga12Sn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.2571]
_cell_length_b [14.3243]
_cell_length_c [7.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na2Ga3Sn5]
_chemical_formula_sum '[Na8 Ga12 Sn20]'
_cell_volume [1131.3919]
_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  0.2458  0.1284  0.0000  1.0
  Ga  Ga1  8  0.1259  0.3773  0.0000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn3  8  0.0000  0.2543  0.2500  1.0
  Sn  Sn4  8  0.1331  0.1142  0.5000  1.0
  Sn  Sn5  4  0.0000  0.5000  0.2500  1.0
]