data_[Se8Cl8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.8668]
_cell_length_b [9.4408]
_cell_length_c [10.2680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SeCl]
_chemical_formula_sum '[Se8 Cl8]'
_cell_volume [665.6557]
_cell_formula_units_Z [8]
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  4  0.0903  0.3886  0.2760  1.0
  Se  Se1  4  0.0979  0.6165  0.7139  1.0
  Cl  Cl2  4  0.0405  0.6033  0.3742  1.0
  Cl  Cl3  4  0.0760  0.1914  0.6143  1.0
]