data_[Rb4B12O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [9.0527]
_cell_length_b [8.3866]
_cell_length_c [5.0231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [RbB3O5]
_chemical_formula_sum '[Rb4 B12 O20]'
_cell_volume [381.3574]
_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
[
  Rb  Rb0  4  0.0813  0.5761  0.5368  1
  B  B1  4  0.0087  0.8821  0.8579  1
  B  B2  4  0.1886  0.9353  0.4910  1
  B  B3  4  0.1892  0.2192  0.6334  1
  O  O4  4  0.0587  0.2459  0.4891  1
  O  O5  4  0.0636  0.9768  0.3249  1
  O  O6  4  0.1414  0.8540  0.7375  1
  O  O7  4  0.2146  0.3262  0.8360  1
  O  O8  4  0.2304  0.5829  0.0781  1
]