data_[Rb4B8Se12O40]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.7389]
_cell_length_b [12.1826]
_cell_length_c [16.6437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [RbB2Se3O10]
_chemical_formula_sum '[Rb4 B8 Se12 O40]'
_cell_volume [960.8759]
_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  0.0036  0.7836  0.6443  1
  B  B1  4  0.0447  0.9678  0.4130  1
  B  B2  4  0.0454  0.1566  0.3436  1
  Se  Se3  4  0.0216  0.9724  0.2388  1
  Se  Se4  4  0.0467  0.2412  0.5959  1
  Se  Se5  4  0.0497  0.5140  0.4924  1
  O  O6  4  0.0133  0.0888  0.0893  1
  O  O7  4  0.0146  0.6051  0.9007  1
  O  O8  4  0.0186  0.0857  0.4108  1
  O  O9  4  0.0379  0.4118  0.1656  1
  O  O10  4  0.0455  0.6116  0.2353  1
  O  O11  4  0.1169  0.0311  0.7309  1
  O  O12  4  0.1231  0.7604  0.1445  1
  O  O13  4  0.1415  0.4169  0.0253  1
  O  O14  4  0.1564  0.8006  0.8264  1
  O  O15  4  0.1661  0.0733  0.9304  1
]