data_[Mn4H40C20N8O24]
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 [8.4031]
_cell_length_b [11.6495]
_cell_length_c [12.0116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnH10C5(NO3)2]
_chemical_formula_sum '[Mn4 H40 C20 N8 O24]'
_cell_volume [879.4108]
_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
[
  Mn  Mn0  4  0.4906  0.7478  0.7508  1
  H  H1  4  0.0258  0.2039  0.9215  1
  H  H2  4  0.0817  0.0051  0.1271  1
  H  H3  4  0.1155  0.5992  0.4139  1
  H  H4  4  0.1480  0.5605  0.9783  1
  H  H5  4  0.1631  0.1233  0.2472  1
  H  H6  4  0.1685  0.1342  0.7407  1
  H  H7  4  0.2570  0.0880  0.9171  1
  H  H8  4  0.2813  0.0500  0.4665  1
  H  H9  4  0.3481  0.7147  0.4266  1
  H  H10  4  0.4711  0.5102  0.1992  1
  C  C11  4  0.0103  0.2261  0.4764  1
  C  C12  4  0.0144  0.5137  0.7673  1
  C  C13  4  0.0377  0.0596  0.1778  1
  C  C14  4  0.4479  0.7069  0.9764  1
  C  C15  4  0.4548  0.0045  0.1833  1
  N  N16  4  0.1448  0.0878  0.8019  1
  N  N17  4  0.1529  0.5045  0.9138  1
  O  O18  4  0.1701  0.6792  0.0956  1
  O  O19  4  0.1746  0.1977  0.6071  1
  O  O20  4  0.4118  0.0985  0.1141  1
  O  O21  4  0.4140  0.5937  0.6254  1
  O  O22  4  0.4791  0.1752  0.3970  1
  O  O23  4  0.4854  0.6545  0.9029  1
]