data_[Na12Ga20Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.7628]
_cell_length_b [13.3229]
_cell_length_c [6.4273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3Ga5Sb2]
_chemical_formula_sum '[Na12 Ga20 Sb8]'
_cell_volume [1007.2511]
_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  0.2367  0.3837  0.0000  1.0
  Na  Na1  4  0.0000  0.0000  0.2500  1.0
  Ga  Ga2  8  0.0000  0.2578  0.2500  1.0
  Ga  Ga3  8  0.1160  0.3778  0.5000  1.0
  Ga  Ga4  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb5  8  0.1544  0.1430  0.0000  1.0
]