data_[K1Rb1B2H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6948]
_cell_length_b [4.6948]
_cell_length_c [8.0270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KRb(BH4)2]
_chemical_formula_sum '[K1 Rb1 B2 H8]'
_cell_volume [153.2204]
_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  0.2527  1.0
  H  H3  6  0.0462  0.5231  0.3015  1.0
  H  H4  2  0.3333  0.6667  0.0995  1.0
]