data_[Fe1S4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0313]
_cell_length_b [7.2008]
_cell_length_c [7.5560]
_cell_angle_alpha [89.7217]
_cell_angle_beta [63.6327]
_cell_angle_gamma [60.8887]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe(S2Cl3)2]
_chemical_formula_sum '[Fe1 S4 Cl6]'
_cell_volume [288.3587]
_cell_formula_units_Z [1]
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
[
  Fe  Fe0  1  0.0000  0.0000  0.0000  1
  S  S1  2  0.1255  0.3343  0.3114  1
  S  S2  2  0.2362  0.4047  0.4966  1
  Cl  Cl3  2  0.1184  0.8991  0.2283  1
  Cl  Cl4  2  0.2086  0.6349  0.8390  1
  Cl  Cl5  2  0.3519  0.0089  0.8057  1
]