data_[Na1Sb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.3147]
_cell_length_b [6.3147]
_cell_length_c [5.4461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [NaSb5]
_chemical_formula_sum '[Na1 Sb5]'
_cell_volume [188.0743]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sb  Sb1  3  0.0000  0.5000  0.5000  1
  Sb  Sb2  2  0.3333  0.6667  0.0000  1
]