data_[In6S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.0066]
_cell_length_b [6.7806]
_cell_length_c [10.4918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [In3(SCl)2]
_chemical_formula_sum '[In6 S4 Cl4]'
_cell_volume [1352.1445]
_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  4  0.1054  0.6412  0.9517  1
  In  In1  2  0.0000  0.0000  0.1297  1
  S  S2  4  0.1039  0.6783  0.6917  1
  Cl  Cl3  4  0.0458  0.2415  0.9565  1
]