data_[Se2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3744]
_cell_length_b [5.6564]
_cell_length_c [9.3506]
_cell_angle_alpha [90.9566]
_cell_angle_beta [106.4003]
_cell_angle_gamma [117.8969]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SeSCl]
_chemical_formula_sum '[Se2 S2 Cl2]'
_cell_volume [237.2635]
_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  0.3458  0.6089  0.7286  1.0
  S  S1  2  0.4723  0.3068  0.0321  1.0
  Cl  Cl2  2  0.1500  0.5461  0.3250  1.0
]