data_[Cs8Sn12Sb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.7288]
_cell_length_b [14.8744]
_cell_length_c [8.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2Sn3Sb5]
_chemical_formula_sum '[Cs8 Sn12 Sb20]'
_cell_volume [1531.3453]
_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
[
  Cs  Cs0  8  0.2491  0.1273  0.0000  1.0
  Sn  Sn1  8  0.1134  0.3790  0.0000  1.0
  Sn  Sn2  4  0.0000  0.0000  0.2500  1.0
  Sb  Sb3  8  0.0000  0.2557  0.2500  1.0
  Sb  Sb4  8  0.1029  0.1274  0.5000  1.0
  Sb  Sb5  4  0.0000  0.5000  0.2500  1.0
]