data_[Mn1H12C8S2N2O2]
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
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8667]
_cell_length_b [8.0052]
_cell_length_c [8.3157]
_cell_angle_alpha [107.4209]
_cell_angle_beta [101.1207]
_cell_angle_gamma [95.1260]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnH12C8S2(NO)2]
_chemical_formula_sum '[Mn1 H12 C8 S2 N2 O2]'
_cell_volume [361.0888]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  H  H1  2  0.0438  0.7072  0.1493  1
  H  H2  2  0.0991  0.7329  0.3759  1
  H  H3  2  0.1175  0.9224  0.3001  1
  H  H4  2  0.3246  0.1655  0.8508  1
  H  H5  2  0.3819  0.8503  0.0453  1
  H  H6  2  0.4677  0.9826  0.7615  1
  C  C7  2  0.0913  0.6647  0.6932  1
  C  C8  2  0.1515  0.7853  0.2790  1
  C  C9  2  0.4044  0.7777  0.2755  1
  C  C10  2  0.4934  0.1264  0.8303  1
  S  S11  2  0.1406  0.2870  0.2326  1
  N  N12  2  0.2619  0.6322  0.6409  1
  O  O13  2  0.4715  0.3029  0.6444  1
]