data_[Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.2934]
_cell_length_b [11.2934]
_cell_length_c [4.2013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sb]
_chemical_formula_sum '[Sb16]'
_cell_volume [535.8391]
_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
[
  Sb  Sb0  8  0.0917  0.3158  0.0000  1
  Sb  Sb1  8  0.1437  0.8552  0.5000  1
]