data_[K1Rb1B2Cl8]
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
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.2930]
_cell_length_b [6.2930]
_cell_length_c [10.3334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [KRb(BCl4)2]
_chemical_formula_sum '[K1 Rb1 B2 Cl8]'
_cell_volume [354.4014]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  K  K1  1  0.0000  0.0000  0.5000  1.0
  B  B2  2  0.3333  0.6667  0.2309  1.0
  Cl  Cl3  6  0.0428  0.6456  0.2891  1.0
  Cl  Cl4  2  0.3333  0.6667  0.0504  1.0
]