data_[Na6Ga6Sn16]
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 [Immm]
_cell_length_a [4.5096]
_cell_length_b [12.4418]
_cell_length_c [13.3089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na3Ga3Sn8]
_chemical_formula_sum '[Na6 Ga6 Sn16]'
_cell_volume [746.7304]
_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  0.2142  1
  Na  Na1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.0000  0.1434  0.0000  1
  Ga  Ga3  2  0.0000  0.5000  0.5000  1
  Sn  Sn4  8  0.0000  0.3020  0.3539  1
  Sn  Sn5  8  0.0000  0.3639  0.1254  1
]