data_[Cr4S4Cl4]
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 [C2/m]
_cell_length_a [14.0886]
_cell_length_b [3.4540]
_cell_length_c [6.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrSCl]
_chemical_formula_sum '[Cr4 S4 Cl4]'
_cell_volume [270.1125]
_cell_formula_units_Z [4]
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  4  0.2471  0.0000  0.2618  1.0
  S  S1  4  0.1498  0.5000  0.3226  1.0
  Cl  Cl2  4  0.1427  0.0000  0.8160  1.0
]