data_[Na4Ga8Sn12]
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 [C2/m]
_cell_length_a [16.5460]
_cell_length_b [4.3955]
_cell_length_c [9.4408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaGa2Sn3]
_chemical_formula_sum '[Na4 Ga8 Sn12]'
_cell_volume [612.6516]
_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  4  0.1315  0.0000  0.1356  1
  Ga  Ga1  4  0.0106  0.5000  0.8722  1
  Ga  Ga2  4  0.1923  0.0000  0.6730  1
  Sn  Sn3  4  0.0023  0.0000  0.6685  1
  Sn  Sn4  4  0.1588  0.5000  0.4361  1
  Sn  Sn5  4  0.1836  0.5000  0.8837  1
]