data_[Na36Ga3Sn21]
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 [R-3]
_cell_length_a [13.4584]
_cell_length_b [13.4584]
_cell_length_c [10.8730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12GaSn7]
_chemical_formula_sum '[Na36 Ga3 Sn21]'
_cell_volume [1705.5656]
_cell_formula_units_Z [3]
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  18  0.0092  0.7498  0.5106  1.0
  Na  Na1  18  0.0589  0.8991  0.2445  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  18  0.0699  0.5508  0.6225  1.0
  Sn  Sn4  3  0.0000  0.0000  0.5000  1.0
]