data_[Cs2Sb4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6845]
_cell_length_b [6.0852]
_cell_length_c [11.0514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(SbBr3)2]
_chemical_formula_sum '[Cs2 Sb4 Br12]'
_cell_volume [817.4042]
_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  0.0000  0.5000  1
  Sb  Sb1  4  0.1797  0.0000  0.0816  1
  Br  Br2  4  0.0323  0.0000  0.1881  1
  Br  Br3  4  0.1526  0.5000  0.6666  1
  Br  Br4  4  0.1873  0.5000  0.0672  1
]