data_[Rb9B6Se24]
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 [R-3m]
_cell_length_a [6.5398]
_cell_length_b [6.5398]
_cell_length_c [30.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb3(BSe4)2]
_chemical_formula_sum '[Rb9 B6 Se24]'
_cell_volume [1132.2881]
_cell_formula_units_Z [3]
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  0.2622  1
  Rb  Rb1  3  0.0000  0.0000  0.0000  1
  B  B2  6  0.0000  0.0000  0.4402  1
  Se  Se3  18  0.0076  0.5038  0.7990  1
  Se  Se4  6  0.0000  0.0000  0.3738  1
]