data_[Cr1H8C4S4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1301]
_cell_length_b [7.6375]
_cell_length_c [10.3293]
_cell_angle_alpha [92.7511]
_cell_angle_beta [100.3148]
_cell_angle_gamma [98.2495]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrH8C4(S2N3)2]
_chemical_formula_sum '[Cr1 H8 C4 S4 N6]'
_cell_volume [316.3354]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1
  H  H1  2  0.3288  0.9161  0.2829  1
  H  H2  2  0.3307  0.4902  0.7023  1
  H  H3  2  0.3864  0.5233  0.8730  1
  H  H4  2  0.4824  0.2274  0.6089  1
  C  C5  2  0.0464  0.1774  0.2869  1
  C  C6  2  0.4613  0.7036  0.1921  1
  S  S7  2  0.0204  0.2867  0.4212  1
  S  S8  2  0.3452  0.7641  0.0331  1
  N  N9  2  0.0626  0.0960  0.1873  1
  N  N10  2  0.4051  0.4450  0.7925  1
  N  N11  2  0.4255  0.8016  0.2973  1
]