data_[Cs1Ba2Sb1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7677]
_cell_length_b [10.7209]
_cell_length_c [7.7919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsBa2SbI8]
_chemical_formula_sum '[Cs1 Ba2 Sb1 I8]'
_cell_volume [648.8590]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Ba  Ba1  2  0.5000  0.2445  0.5000  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  I  I3  4  0.2362  0.2023  0.8592  1
  I  I4  2  0.2273  0.0000  0.3321  1
  I  I5  2  0.2528  0.5000  0.4076  1
]