data_CrH10S2(NO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.47
_cell_length_c   6.91
_cell_angle_alpha   93.39
_cell_angle_beta   103.27
_cell_angle_gamma   98.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH10S2(NO2)4
_chemical_formula_sum   'Cr1 H10 S2 N4 O8'
_cell_volume   192.62
_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  0.0  0.0  0.0  1.0
  H  H1  1  0.4  0.92  0.66  1.0
  H  H2  1  0.54  0.84  0.03  1.0
  H  H3  1  0.33  0.15  0.91  1.0
  H  H4  1  0.61  0.61  0.78  1.0
  H  H5  1  0.83  0.74  0.95  1.0
  H  H6  1  0.11  0.02  0.74  1.0
  H  H7  1  0.46  0.89  0.69  1.0
  H  H8  1  0.48  0.87  1.0  1.0
  H  H9  1  0.55  0.95  0.99  1.0
  H  H10  1  0.39  0.81  0.7  1.0
  S  S23  1  0.94  0.34  0.51  1.0
  S  S24  1  0.0  0.42  0.18  1.0
  N  N11  1  0.33  0.35  0.8  1.0
  N  N12  1  0.61  0.41  0.89  1.0
  N  N13  1  0.49  0.51  0.85  1.0
  N  N14  1  0.45  0.25  0.84  1.0
  O  O15  1  0.98  0.07  0.26  1.0
  O  O16  1  0.96  0.69  0.43  1.0
  O  O17  1  0.76  0.47  0.46  1.0
  O  O18  1  0.18  0.29  0.23  1.0
  O  O19  1  0.86  0.33  0.5  1.0
  O  O20  1  0.08  0.43  0.19  1.0
  O  O21  1  0.26  0.55  0.84  1.0
  O  O22  1  0.68  0.21  0.85  1.0

data_CrH10S2(NO2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.47
_cell_length_c   6.91
_cell_angle_alpha   93.39
_cell_angle_beta   103.27
_cell_angle_gamma   98.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH10S2(NO2)4
_chemical_formula_sum   'Cr1 H10 S2 N4 O8'
_cell_volume   192.62
_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  0.0  0.0  0.0  1.0
  H  H1  1  0.11  0.02  0.74  1.0
  H  H2  1  0.33  0.15  0.91  1.0
  H  H3  1  0.39  0.81  0.7  1.0
  H  H4  1  0.4  0.92  0.66  1.0
  H  H5  1  0.46  0.89  0.69  1.0
  H  H6  1  0.48  0.87  1.0  1.0
  H  H7  1  0.54  0.84  0.03  1.0
  H  H8  1  0.55  0.95  0.99  1.0
  H  H9  1  0.61  0.61  0.78  1.0
  H  H10  1  0.83  0.74  0.95  1.0
  S  S11  1  0.0  0.42  0.18  1.0
  S  S12  1  0.94  0.34  0.51  1.0
  N  N13  1  0.33  0.35  0.8  1.0
  N  N14  1  0.45  0.25  0.84  1.0
  N  N15  1  0.49  0.51  0.85  1.0
  N  N16  1  0.61  0.41  0.89  1.0
  O  O17  1  0.08  0.43  0.19  1.0
  O  O18  1  0.18  0.29  0.23  1.0
  O  O19  1  0.26  0.55  0.84  1.0
  O  O20  1  0.68  0.21  0.85  1.0
  O  O21  1  0.76  0.47  0.46  1.0
  O  O22  1  0.86  0.33  0.5  1.0
  O  O23  1  0.96  0.69  0.43  1.0
  O  O24  1  0.98  0.07  0.26  1.0

Cr H H H H H H H H H H S S N N N N O O O O O O O O
Cr H H H H H H H H H H S S N N N N O O O O O O O O 0 5 - - - 0 17 - o o 1 7 o o o 1 10 o o o 2 8 o o - 2 9 o o - 3 16 o o o 3 6 o o o 4 15 o o o 4 5 o o o 7 10 o o o 8 9 o o o 11 21 o o o 12 22 o o o 13 16 o o o 13 15 o o o 13 23 o o o 14 16 o o o 14 15 o o o 14 24 o o o 15 23 o o o 16 24 o o o 17 20 + o o 18 19 o o o 19 21 o o o 20 22 o o o 