data_[Cs4K2Sn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.0904]
_cell_length_b [11.9318]
_cell_length_c [9.0209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2KSnBr6]
_chemical_formula_sum '[Cs4 K2 Sn2 Br12]'
_cell_volume [870.8092]
_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  4  0.0000  0.2763  0.1996  1.0
  K  K1  2  0.0000  0.5000  0.7093  1.0
  Sn  Sn2  2  0.0000  0.0000  0.7830  1.0
  Br  Br3  4  0.0000  0.2356  0.7881  1.0
  Br  Br4  4  0.2412  0.0000  0.0100  1.0
  Br  Br5  4  0.2451  0.5000  0.4256  1.0
]