data_[Se5O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.8862]
_cell_length_b [15.0000]
_cell_length_c [10.9233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Se5O6]
_chemical_formula_sum '[Se5 O6]'
_cell_volume [1519.6402]
_cell_formula_units_Z [1]
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
[
  Se  Se0  1  0.0595  0.5000  0.6443  1
  Se  Se1  1  0.0705  0.5000  0.0013  1
  Se  Se2  1  0.2490  0.5000  0.3450  1
  Se  Se3  1  0.4585  0.5000  0.5352  1
  Se  Se4  1  0.6000  0.5000  0.3975  1
  O  O5  1  0.0190  0.5000  0.1304  1
  O  O6  1  0.1115  0.5000  0.5158  1
  O  O7  1  0.2019  0.5000  0.7795  1
  O  O8  1  0.3392  0.5000  0.2374  1
  O  O9  1  0.7724  0.5000  0.4988  1
  O  O10  1  0.9281  0.5000  0.8670  1
]