data_[Na12In20Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.5512]
_cell_length_b [14.0313]
_cell_length_c [7.1529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3In5Sb2]
_chemical_formula_sum '[Na12 In20 Sb8]'
_cell_volume [1259.7017]
_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  0.2451  0.3707  0.0000  1.0
  Na  Na1  4  0.0000  0.0000  0.2500  1.0
  In  In2  8  0.0000  0.2482  0.2500  1.0
  In  In3  8  0.1306  0.3741  0.5000  1.0
  In  In4  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb5  8  0.1425  0.1296  0.0000  1.0
]