data_[Cs2Rb4As2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1641]
_cell_length_b [8.6562]
_cell_length_c [14.2015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsRb2AsBr6]
_chemical_formula_sum '[Cs2 Rb4 As2 Br12]'
_cell_volume [827.6248]
_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  0.5000  0.0000  0.0000  1.0
  Rb  Rb1  4  0.2189  0.0785  0.2481  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0757  0.2391  0.9258  1.0
  Br  Br4  4  0.2059  0.6656  0.9403  1.0
  Br  Br5  4  0.3355  0.0490  0.7084  1.0
]