data_[Mn2H24C28N4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [14.8172]
_cell_length_b [6.4826]
_cell_length_c [7.1859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnH12C14(NO3)2]
_chemical_formula_sum '[Mn2 H24 C28 N4 O12]'
_cell_volume [690.2291]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.5000  1
  H  H1  4  0.0431  0.6262  0.3872  1
  H  H2  4  0.0800  0.6121  0.5930  1
  H  H3  4  0.2033  0.6374  0.8217  1
  H  H4  4  0.2596  0.5132  0.3038  1
  H  H5  4  0.3631  0.7073  0.9166  1
  H  H6  4  0.4198  0.0573  0.9067  1
  C  C7  4  0.1294  0.2342  0.2413  1
  C  C8  4  0.2231  0.1923  0.3040  1
  C  C9  4  0.2515  0.5117  0.8367  1
  C  C10  4  0.2833  0.1434  0.8292  1
  C  C11  4  0.3394  0.5511  0.8907  1
  C  C12  4  0.3715  0.1820  0.8850  1
  C  C13  4  0.3998  0.1144  0.4159  1
  N  N14  4  0.4901  0.0905  0.4731  1
  O  O15  4  0.0710  0.0853  0.2483  1
  O  O16  4  0.0727  0.7076  0.4857  1
  O  O17  4  0.1095  0.0877  0.6825  1
]