data_Cr2H8N2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   7.83
_cell_angle_alpha   92.81
_cell_angle_beta   92.81
_cell_angle_gamma   58.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2H8N2O7
_chemical_formula_sum   'Cr4 H16 N4 O14'
_cell_volume   400.59
_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  1  0.09  0.28  0.0  1.0
  Cr  Cr1  1  0.71  0.28  0.73  1.0
  Cr  Cr2  1  0.93  0.72  0.82  1.0
  Cr  Cr3  1  0.32  0.72  0.09  1.0
  H  H4  1  0.25  0.3  0.08  1.0
  H  H5  1  1.0  0.3  0.83  1.0
  H  H6  1  0.78  0.7  0.74  1.0
  H  H7  1  0.03  0.7  0.99  1.0
  H  H8  1  0.52  0.39  0.25  1.0
  H  H9  1  0.73  0.39  0.66  1.0
  H  H10  1  0.51  0.61  0.57  1.0
  H  H11  1  0.3  0.61  0.16  1.0
  H  H12  1  0.24  0.37  0.38  1.0
  H  H13  1  0.01  0.37  0.53  1.0
  H  H14  1  0.79  0.63  0.44  1.0
  H  H15  1  0.02  0.63  0.28  1.0
  H  H16  1  0.38  0.85  0.3  1.0
  H  H17  1  0.86  0.85  0.61  1.0
  H  H18  1  0.64  0.15  0.52  1.0
  H  H19  1  0.16  0.15  0.21  1.0
  N  N20  1  0.73  0.62  0.24  1.0
  N  N21  1  0.52  0.62  0.67  1.0
  N  N22  1  0.29  0.38  0.58  1.0
  N  N23  1  0.51  0.38  0.15  1.0
  O  O24  1  0.4  0.4  0.86  1.0
  O  O25  1  0.62  0.6  0.95  1.0
  O  O26  1  0.76  0.29  0.89  1.0
  O  O27  1  0.49  0.29  0.02  1.0
  O  O28  1  0.27  0.71  0.93  1.0
  O  O29  1  0.54  0.71  0.8  1.0
  O  O30  1  0.25  0.2  0.09  1.0
  O  O31  1  0.55  0.2  0.64  1.0
  O  O32  1  0.77  0.8  0.73  1.0
  O  O33  1  0.47  0.8  0.18  1.0
  O  O34  1  0.11  0.22  0.29  1.0
  O  O35  1  0.7  0.22  0.44  1.0
  O  O36  1  0.92  0.78  0.53  1.0
  O  O37  1  0.33  0.78  0.38  1.0

data_Cr2H8N2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.61
_cell_length_b   7.73
_cell_length_c   7.83
_cell_angle_alpha   92.81
_cell_angle_beta   90.0
_cell_angle_gamma   119.46
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2H8N2O7
_chemical_formula_sum   'Cr4 H16 N4 O14'
_cell_volume   400.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.28  0.48  0.82  1.0
  Cr  Cr1  2  0.28  0.86  0.09  1.0
  H  H2  2  0.15  0.28  0.61  1.0
  H  H3  2  0.15  0.8  0.3  1.0
  H  H4  2  0.3  0.04  0.17  1.0
  H  H5  2  0.3  0.79  0.92  1.0
  H  H6  2  0.37  0.09  0.47  1.0
  H  H7  2  0.37  0.86  0.62  1.0
  H  H8  2  0.39  0.39  0.34  1.0
  H  H9  2  0.39  0.6  0.75  1.0
  N  N10  2  0.38  0.16  0.67  1.0
  N  N11  2  0.38  0.37  0.24  1.0
  O  O12  2  0.2  0.24  0.73  1.0
  O  O13  2  0.2  0.94  0.18  1.0
  O  O14  2  0.22  0.4  0.53  1.0
  O  O15  2  0.22  0.81  0.38  1.0
  O  O16  2  0.29  0.27  0.11  1.0
  O  O17  2  0.29  0.54  0.98  1.0
  O  O18  2  0.4  0.29  0.95  1.0

Cr Cr Cr Cr H H H H H H H H H H H H H H H H N N N N O O O O O O O O O O O O O O
Cr Cr Cr Cr H H H H H H H H H H H H H H H H N N N N O O O O O O O O O O O O O O 0 5 - o - 0 30 o o o 0 4 o o o 1 9 o o o 1 26 o o o 2 6 o o o 2 32 o o o 2 7 + o o 3 11 o o o 3 28 o o - 4 30 o o o 5 13 + o o 6 32 o o o 7 15 o o + 8 23 o o o 9 13 + o o 10 21 o o o 11 15 o o o 12 34 o o o 12 15 o o o 12 22 o o o 12 13 o o o 13 14 - o o 13 34 o o o 13 22 o o o 14 20 o o o 14 36 o o o 14 15 + o o 15 20 - o o 15 36 - o o 16 37 o o o 16 33 o o o 17 36 o o o 18 31 o o o 18 35 o o o 19 34 o o o 20 33 o o o 21 29 o o o 22 31 o o o 23 27 o o o 24 27 o o + 25 29 o o o 