data_[As4S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3273]
_cell_length_b [4.3396]
_cell_length_c [13.1897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AsSCl]
_chemical_formula_sum '[As4 S4 Cl4]'
_cell_volume [378.6554]
_cell_formula_units_Z [4]
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  4  0.2094  0.2414  0.3513  1.0
  S  S1  4  0.0670  0.6145  0.3824  1.0
  Cl  Cl2  4  0.3510  0.5284  0.2967  1.0
]