data_[Sn6As2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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/m]
_cell_length_a [8.6687]
_cell_length_b [4.2138]
_cell_length_c [9.2227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sn3AsSCl]
_chemical_formula_sum '[Sn6 As2 S2 Cl2]'
_cell_volume [332.9974]
_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
[
  Sn  Sn0  2  0.0223  0.7500  0.8632  1.0
  Sn  Sn1  2  0.2139  0.7500  0.5084  1.0
  Sn  Sn2  2  0.4339  0.2500  0.8047  1.0
  As  As3  2  0.0679  0.2500  0.6748  1.0
  S  S4  2  0.3355  0.7500  0.9527  1.0
  Cl  Cl5  2  0.3133  0.2500  0.3201  1.0
]