data_[Mn4B40H104O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2743]
_cell_length_b [6.9046]
_cell_length_c [18.9507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnB10(H13O4)2]
_chemical_formula_sum '[Mn4 B40 H104 O32]'
_cell_volume [1677.8843]
_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  0.2500  0.2500  0.5000  1
  B  B1  8  0.0186  0.3317  0.6560  1
  B  B2  8  0.0309  0.4950  0.2983  1
  B  B3  8  0.0459  0.1579  0.7222  1
  B  B4  8  0.0848  0.2588  0.8128  1
  B  B5  8  0.1003  0.4046  0.7368  1
  H  H6  8  0.0302  0.3319  0.5952  1
  H  H7  8  0.0365  0.1401  0.4408  1
  H  H8  8  0.0602  0.3419  0.3268  1
  H  H9  8  0.0834  0.0064  0.7115  1
  H  H10  8  0.1028  0.2939  0.1328  1
  H  H11  8  0.1067  0.0192  0.9170  1
  H  H12  8  0.1140  0.4444  0.9452  1
  H  H13  8  0.1414  0.3999  0.0297  1
  H  H14  8  0.1441  0.8799  0.5949  1
  H  H15  8  0.1626  0.1964  0.8546  1
  H  H16  8  0.1787  0.2322  0.6322  1
  H  H17  8  0.1849  0.4692  0.7381  1
  H  H18  8  0.2062  0.3497  0.3504  1
  O  O19  8  0.0980  0.2339  0.0853  1
  O  O20  8  0.1076  0.0832  0.4531  1
  O  O21  8  0.1592  0.4859  0.9924  1
  O  O22  8  0.2291  0.1669  0.6104  1
]