data_[Se2Cl2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4625]
_cell_length_b [6.0339]
_cell_length_c [6.8441]
_cell_angle_alpha [105.0413]
_cell_angle_beta [94.3276]
_cell_angle_gamma [107.2136]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SeClO]
_chemical_formula_sum '[Se2 Cl2 O2]'
_cell_volume [167.6677]
_cell_formula_units_Z [2]
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  2  0.1098  0.1009  0.2026  1
  Cl  Cl1  2  0.0870  0.2680  0.7531  1
  O  O2  2  0.4987  0.1651  0.2236  1
]