data_[Cs16Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [15.5793]
_cell_length_b [7.5311]
_cell_length_c [14.5621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSb]
_chemical_formula_sum '[Cs16 Sb16]'
_cell_volume [1573.1726]
_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
[
  Cs  Cs0  4  0.1081  0.6891  0.4713  1
  Cs  Cs1  4  0.1578  0.0863  0.6825  1
  Cs  Cs2  4  0.3573  0.1428  0.0416  1
  Cs  Cs3  4  0.3663  0.6175  0.8522  1
  Sb  Sb4  4  0.0681  0.1917  0.3669  1
  Sb  Sb5  4  0.0895  0.5742  0.7305  1
  Sb  Sb6  4  0.4116  0.6297  0.1457  1
  Sb  Sb7  4  0.4301  0.1312  0.8005  1
]