data_[Cs2Sn2Sb6]
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 [Pmn2_1]
_cell_length_a [7.9039]
_cell_length_b [9.5403]
_cell_length_c [5.5529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CsSnSb3]
_chemical_formula_sum '[Cs2 Sn2 Sb6]'
_cell_volume [418.7150]
_cell_formula_units_Z [2]
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  2  0.0000  0.4193  0.5599  1.0
  Sn  Sn1  2  0.0000  0.9946  0.8164  1.0
  Sb  Sb2  4  0.2453  0.8142  0.5385  1.0
  Sb  Sb3  2  0.0000  0.7622  0.1683  1.0
]