data_[As2Se4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4202]
_cell_length_b [3.7300]
_cell_length_c [5.6582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AsSe2Cl]
_chemical_formula_sum '[As2 Se4 Cl2]'
_cell_volume [238.5333]
_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
[
  As  As0  2  0.4836  0.0000  0.6005  1
  Se  Se1  2  0.0168  0.0000  0.9386  1
  Se  Se2  2  0.1491  0.0000  0.6374  1
  Cl  Cl3  2  0.3505  0.5000  0.3234  1
]