data_[Mn10H8S6O30]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7585]
_cell_length_b [8.3098]
_cell_length_c [10.8107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn5H4(SO5)3]
_chemical_formula_sum '[Mn10 H8 S6 O30]'
_cell_volume [682.5088]
_cell_formula_units_Z [2]
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  0.1906  0.0471  0.1100  1
  Mn  Mn1  4  0.4362  0.0433  0.6393  1
  Mn  Mn2  2  0.4428  0.2500  0.8889  1
  H  H3  4  0.4658  0.5721  0.8619  1
  H  H4  2  0.1222  0.2500  0.9205  1
  H  H5  2  0.1731  0.2500  0.6724  1
  S  S6  2  0.1722  0.7500  0.8814  1
  S  S7  2  0.1793  0.7500  0.3245  1
  S  S8  2  0.2621  0.2500  0.3900  1
  O  O9  4  0.1044  0.6025  0.9465  1
  O  O10  4  0.1159  0.6026  0.2453  1
  O  O11  4  0.2648  0.5921  0.6334  1
  O  O12  4  0.3821  0.1014  0.4331  1
  O  O13  4  0.4660  0.5190  0.1623  1
  O  O14  2  0.2293  0.2500  0.9865  1
  O  O15  2  0.2407  0.2500  0.2443  1
  O  O16  2  0.3016  0.2500  0.6910  1
  O  O17  2  0.3736  0.7500  0.9307  1
  O  O18  2  0.3869  0.7500  0.3376  1
]