data_[As2S4N2Cl12]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1178]
_cell_length_b [7.3940]
_cell_length_c [6.5687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AsS2NCl6]
_chemical_formula_sum '[As2 S4 N2 Cl12]'
_cell_volume [533.2106]
_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  0.0000  0.0000  0.0000  1
  S  S1  4  0.1179  0.5000  0.6461  1
  N  N2  2  0.0000  0.5000  0.5000  1
  Cl  Cl3  8  0.1262  0.2187  0.1600  1
  Cl  Cl4  4  0.1088  0.0000  0.7325  1
]