data_[Sb2S2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  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 [6.8458]
_cell_length_b [9.3372]
_cell_length_c [7.3344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SbSCl3]
_chemical_formula_sum '[Sb2 S2 Cl6]'
_cell_volume [434.2086]
_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
[
  Sb  Sb0  2  0.3310  0.2500  0.6325  1
  S  S1  2  0.2536  0.2500  0.3099  1
  Cl  Cl2  4  0.2110  0.0587  0.7665  1
  Cl  Cl3  2  0.3122  0.7500  0.1632  1
]