data_[Rb20B8Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1502]
_cell_length_b [8.2602]
_cell_length_c [17.2724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb5(BSe3)2]
_chemical_formula_sum '[Rb20 B8 Se24]'
_cell_volume [1837.8110]
_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  8  0.0609  0.2623  0.4953  1
  Rb  Rb1  8  0.1551  0.0532  0.2122  1
  Rb  Rb2  4  0.0000  0.4108  0.7500  1
  B  B3  8  0.2327  0.1533  0.9276  1
  Se  Se4  8  0.0839  0.0843  0.8783  1
  Se  Se5  8  0.1567  0.4287  0.1320  1
  Se  Se6  8  0.2328  0.4080  0.9501  1
]