data_[Na4B4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.3548]
_cell_length_b [7.3548]
_cell_length_c [6.5762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [NaBSb2]
_chemical_formula_sum '[Na4 B4 Sb8]'
_cell_volume [355.7287]
_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  0.0000  0.0000  0.0000  1
  B  B1  4  0.0000  0.0000  0.5000  1
  Sb  Sb2  8  0.1673  0.7500  0.6250  1
]