data_[Cr4H68N16Cl8O12]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0893]
_cell_length_b [9.7752]
_cell_length_c [12.7428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrH17N4Cl2O3]
_chemical_formula_sum '[Cr4 H68 N16 Cl8 O12]'
_cell_volume [913.7008]
_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  0.1507  0.5718  0.6233  1
  H  H1  4  0.0413  0.7482  0.2178  1
  H  H2  4  0.0476  0.1017  0.6129  1
  H  H3  4  0.0728  0.6101  0.3984  1
  H  H4  4  0.1067  0.1235  0.8427  1
  H  H5  4  0.1201  0.2429  0.9410  1
  H  H6  4  0.1248  0.5058  0.9687  1
  H  H7  4  0.2117  0.6942  0.0599  1
  H  H8  4  0.2353  0.5697  0.8607  1
  H  H9  4  0.2947  0.6856  0.2174  1
  H  H10  4  0.3307  0.0683  0.3461  1
  H  H11  4  0.3337  0.1413  0.1290  1
  H  H12  4  0.3446  0.1854  0.8132  1
  H  H13  4  0.3503  0.0161  0.0469  1
  H  H14  4  0.4159  0.7423  0.6729  1
  H  H15  4  0.4281  0.5835  0.8720  1
  H  H16  4  0.4792  0.0117  0.2075  1
  H  H17  4  0.4930  0.1976  0.9652  1
  N  N18  4  0.0306  0.1848  0.8594  1
  N  N19  4  0.2866  0.7464  0.1479  1
  N  N20  4  0.3042  0.5350  0.8243  1
  N  N21  4  0.3512  0.0373  0.1267  1
  Cl  Cl22  4  0.2762  0.5982  0.3679  1
  Cl  Cl23  4  0.2941  0.1255  0.6232  1
  O  O24  4  0.0044  0.0999  0.0708  1
  O  O25  4  0.0769  0.5877  0.9120  1
  O  O26  4  0.3971  0.2491  0.8869  1
]