data_[K2Rb6In4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [21.1906]
_cell_length_b [4.8727]
_cell_length_c [9.7279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb3(InBr3)2]
_chemical_formula_sum '[K2 Rb6 In4 Br12]'
_cell_volume [979.0251]
_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
[
  Rb  Rb0  4  0.1678  0.0000  0.8304  1.0
  K  K1  2  0.0000  0.5000  0.0000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.1654  0.0000  0.3301  1.0
  Br  Br4  4  0.0022  0.0000  0.2432  1.0
  Br  Br5  4  0.1634  0.5000  0.0857  1.0
  Br  Br6  4  0.1686  0.5000  0.5749  1.0
]