data_[Cr2S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [3.6228]
_cell_length_b [18.3815]
_cell_length_c [10.1739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Cr(SCl)2]
_chemical_formula_sum '[Cr2 S4 Cl4]'
_cell_volume [655.1256]
_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
[
  Cr  Cr0  2  0.0000  0.5000  0.0000  1
  S  S1  4  0.1396  0.4080  0.6788  1
  Cl  Cl2  4  0.4224  0.4308  0.4075  1
]