data_[Nb16In16Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.5127]
_cell_length_b [9.9657]
_cell_length_c [19.9607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [NbInSb]
_chemical_formula_sum '[Nb16 In16 Sb16]'
_cell_volume [1096.6013]
_cell_formula_units_Z [16]
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
[
  Nb  Nb0  16  0.0000  0.0000  0.1265  1.0
  In  In1  16  0.0000  0.1655  0.0000  1.0
  Sb  Sb2  16  0.0000  0.0000  0.4242  1.0
]