data_[Cr2H28N8Cl6O2]
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/m]
_cell_length_a [6.4194]
_cell_length_b [10.5105]
_cell_length_c [6.5089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrH14N4Cl3O]
_chemical_formula_sum '[Cr2 H28 N8 Cl6 O2]'
_cell_volume [437.3529]
_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  2  0.3301  0.7500  0.2713  1
  H  H1  4  0.0822  0.6709  0.5478  1
  H  H2  4  0.1288  0.6727  0.9285  1
  H  H3  4  0.2240  0.5127  0.1607  1
  H  H4  4  0.2822  0.5175  0.4132  1
  H  H5  4  0.3302  0.1710  0.8936  1
  H  H6  4  0.4734  0.5132  0.2584  1
  H  H7  2  0.0615  0.2500  0.6334  1
  H  H8  2  0.4695  0.2500  0.0796  1
  N  N9  4  0.3269  0.5505  0.2749  1
  N  N10  2  0.0797  0.7500  0.4536  1
  N  N11  2  0.4243  0.2500  0.9232  1
  Cl  Cl12  4  0.1774  0.5133  0.7742  1
  Cl  Cl13  2  0.4265  0.2500  0.4390  1
  O  O14  2  0.1146  0.7500  0.0179  1
]