data_[Cs4Sn4Sb16]
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 [C2/m]
_cell_length_a [14.6415]
_cell_length_b [8.2886]
_cell_length_c [7.5022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSnSb4]
_chemical_formula_sum '[Cs4 Sn4 Sb16]'
_cell_volume [896.1241]
_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  0.2263  0.0000  0.8718  1.0
  Sn  Sn1  4  0.0311  0.5000  0.7764  1.0
  Sb  Sb2  8  0.0863  0.2075  0.4193  1.0
  Sb  Sb3  4  0.0000  0.2050  0.0000  1.0
  Sb  Sb4  4  0.1935  0.5000  0.5825  1.0
]