data_[K6Rb12Sn6Br36]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3112]
_cell_length_b [8.3112]
_cell_length_c [43.2772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KRb2SnBr6]
_chemical_formula_sum '[K6 Rb12 Sn6 Br36]'
_cell_volume [2588.8990]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1456  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2673  1.0
  K  K2  6  0.0000  0.0000  0.4122  1.0
  Sn  Sn3  3  -0.0000  -0.0000  0.5000  1.0
  Sn  Sn4  3  0.0000  0.0000  0.0000  1.0
  Br  Br5  18  0.0073  0.5037  0.8737  1.0
  Br  Br6  18  0.0338  0.5169  0.7021  1.0
]