data_[Na12Ga8Sn12]
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 [Cmcm]
_cell_length_a [4.6784]
_cell_length_b [11.2732]
_cell_length_c [16.0634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Ga2Sn3]
_chemical_formula_sum '[Na12 Ga8 Sn12]'
_cell_volume [847.1942]
_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  0.0716  0.6200  1.0
  Na  Na1  4  0.0000  0.3660  0.7500  1.0
  Ga  Ga2  8  0.0000  0.2153  0.1054  1.0
  Sn  Sn3  8  0.0000  0.3750  0.5319  1.0
  Sn  Sn4  4  0.0000  0.3428  0.2500  1.0
]