data_[Mn4Sb8H32S16N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.5604]
_cell_length_b [4.3417]
_cell_length_c [11.7824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnSb2H8(SN)4]
_chemical_formula_sum '[Mn4 Sb8 H32 S16 N16]'
_cell_volume [999.5002]
_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  0.0000  0.0000  1
  Sb  Sb1  8  0.1968  0.1374  0.6409  1
  H  H2  8  0.0084  0.4359  0.6621  1
  H  H3  8  0.0668  0.2612  0.8209  1
  H  H4  8  0.0986  0.2727  0.3646  1
  H  H5  8  0.1017  0.4465  0.4916  1
  S  S6  8  0.0936  0.1732  0.1540  1
  S  S7  8  0.2066  0.2409  0.8479  1
  N  N8  8  0.0360  0.3614  0.8797  1
  N  N9  8  0.0691  0.3667  0.4267  1
]