data_[B8Se4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ibam]
_cell_length_a [4.5320]
_cell_length_b [9.9166]
_cell_length_c [8.5734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [B2SeO6]
_chemical_formula_sum '[B8 Se4 O24]'
_cell_volume [385.3023]
_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
[
  B  B0  8  0.1375  0.3137  0.5000  1.0
  Se  Se1  4  0.0000  0.5000  0.2500  1.0
  O  O2  16  0.2346  0.4061  0.3567  1.0
  O  O3  8  0.1698  0.7038  0.5000  1.0
]