data_[Cs12Sn4Sb8]
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 [Pnma]
_cell_length_a [14.7400]
_cell_length_b [5.4276]
_cell_length_c [15.5283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs3SnSb2]
_chemical_formula_sum '[Cs12 Sn4 Sb8]'
_cell_volume [1242.3138]
_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  4  0.0730  0.2500  0.6109  1
  Cs  Cs1  4  0.1252  0.7500  0.0650  1
  Cs  Cs2  4  0.1652  0.2500  0.3017  1
  Sn  Sn3  4  0.1452  0.2500  0.8666  1
  Sb  Sb4  4  0.0746  0.7500  0.8197  1
  Sb  Sb5  4  0.2023  0.7500  0.4728  1
]