data_[Cs4Zn4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9698]
_cell_length_b [13.1898]
_cell_length_c [10.7649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsZnSnBr5]
_chemical_formula_sum '[Cs4 Zn4 Sn4 Br20]'
_cell_volume [1284.3192]
_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  0.0000  0.3479  0.2500  1.0
  Zn  Zn1  4  0.0000  0.3119  0.7500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1061  0.2121  0.6206  1.0
  Br  Br4  8  0.1836  0.4211  0.9266  1.0
  Br  Br5  4  0.0000  0.0797  0.2500  1.0
]