data_[Se2Cl2]
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 [P1]
_cell_length_a [4.1864]
_cell_length_b [5.3771]
_cell_length_c [7.5046]
_cell_angle_alpha [98.2689]
_cell_angle_beta [102.4820]
_cell_angle_gamma [109.0326]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SeCl]
_chemical_formula_sum '[Se2 Cl2]'
_cell_volume [151.6637]
_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  1  0.1699  0.3406  0.2851  1.0
  Se  Se1  1  0.5961  0.3322  0.5269  1.0
  Cl  Cl2  1  0.4040  0.3898  0.0423  1.0
  Cl  Cl3  1  0.9199  0.7597  0.6822  1.0
]