data_[Mn4H120C24Se16N24]
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
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5492]
_cell_length_b [12.2873]
_cell_length_c [14.3357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnH30C6(Se2N3)2]
_chemical_formula_sum '[Mn4 H120 C24 Se16 N24]'
_cell_volume [2125.1926]
_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  0.0000  0.3347  0.2500  1
  H  H1  8  0.0457  0.4717  0.4114  1
  H  H2  8  0.0498  0.1047  0.1532  1
  H  H3  8  0.0621  0.0720  0.4499  1
  H  H4  8  0.0647  0.4526  0.8254  1
  H  H5  8  0.0761  0.0541  0.3307  1
  H  H6  8  0.0816  0.2574  0.4385  1
  H  H7  8  0.0913  0.3537  0.0402  1
  H  H8  8  0.1420  0.2248  0.0882  1
  H  H9  8  0.1667  0.2137  0.3783  1
  H  H10  8  0.1729  0.4311  0.1989  1
  H  H11  8  0.2211  0.3112  0.2432  1
  H  H12  8  0.2299  0.4837  0.9734  1
  H  H13  8  0.2372  0.3290  0.0806  1
  H  H14  8  0.2392  0.3896  0.4159  1
  H  H15  8  0.2484  0.4864  0.8546  1
  Se  Se16  8  0.0092  0.2194  0.6694  1
  C  C17  8  0.0408  0.1066  0.3764  1
  Se  Se18  8  0.1435  0.3418  0.6394  1
  C  C19  8  0.1573  0.3127  0.0956  1
  C  C20  8  0.2073  0.4730  0.4035  1
  N  N21  8  0.0835  0.2187  0.3753  1
  N  N22  8  0.0861  0.4735  0.3582  1
  N  N23  8  0.1564  0.3488  0.1936  1
]