data_[Cs4Rb4In4Br12]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7865]
_cell_length_b [5.8200]
_cell_length_c [9.6119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRbInBr3]
_chemical_formula_sum '[Cs4 Rb4 In4 Br12]'
_cell_volume [1071.3587]
_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  0.1502  0.5000  0.0751  1.0
  Rb  Rb1  4  0.1546  0.5000  0.5729  1.0
  In  In2  4  0.0015  0.0000  0.3283  1.0
  Br  Br3  4  0.0010  0.5000  0.2408  1.0
  Br  Br4  4  0.1589  0.0000  0.8167  1.0
  Br  Br5  4  0.1657  0.0000  0.3396  1.0
]