data_[Mn1C2S2N2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [4.9176]
_cell_length_b [7.8993]
_cell_length_c [8.5575]
_cell_angle_alpha [79.5568]
_cell_angle_beta [73.8690]
_cell_angle_gamma [85.8157]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnC2S2(NO6)2]
_chemical_formula_sum '[Mn1 C2 S2 N2 O12]'
_cell_volume [313.9501]
_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  0.0000  0.0000  0.0000  1
  C  C1  2  0.0371  0.5585  0.4284  1
  S  S2  2  0.3955  0.7813  0.7691  1
  N  N3  2  0.1035  0.6581  0.3066  1
  O  O4  2  0.0950  0.2300  0.9365  1
  O  O5  2  0.2333  0.6427  0.8999  1
  O  O6  2  0.2344  0.9511  0.7867  1
  O  O7  2  0.3086  0.9699  0.0915  1
  O  O8  2  0.3191  0.2101  0.2019  1
  O  O9  2  0.4317  0.7433  0.6046  1
]