data_[In2Sn2S4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  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 [8.2419]
_cell_length_b [4.0819]
_cell_length_c [10.1359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InSnS2Cl]
_chemical_formula_sum '[In2 Sn2 S4 Cl2]'
_cell_volume [340.9300]
_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
[
  In  In0  2  0.4395  0.7500  0.6312  1.0
  Sn  Sn1  2  0.2616  0.7500  0.0220  1.0
  S  S2  2  0.3107  0.2500  0.5222  1.0
  S  S3  2  0.4835  0.2500  0.1368  1.0
  Cl  Cl4  2  0.1358  0.2500  0.8612  1.0
]