[CIF]
data_CaB3H7O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52211900
_cell_length_b   6.67307652
_cell_length_c   8.43280527
_cell_angle_alpha   86.77136285
_cell_angle_beta   89.31108647
_cell_angle_gamma   78.21790026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaB3H7O9
_chemical_formula_sum   'Ca2 B6 H14 O18'
_cell_volume   358.71466329
_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
  Ca  Ca0  1  4.98027158  0.24890891  3.16858940  1
  Ca  Ca1  1  3.00581642  6.74758709  5.25082960  1
  B  B2  1  3.86967535  2.43642007  6.72589497  1
  B  B3  1  4.11641265  4.56007593  1.69352403  1
  B  B4  1  5.89670712  2.17355388  5.32144326  1
  B  B5  1  2.08938088  4.82294212  3.09797574  1
  B  B6  1  2.04219921  0.38291566  2.22815714  1
  B  B7  1  5.94388879  6.61358034  6.19126186  1
  H  H8  1  3.14370596  4.13564128  7.57394936  1
  H  H9  1  4.84238204  2.86085472  0.84546964  1
  H  H10  1  6.21480180  3.18186217  3.54289152  1
  H  H11  1  1.77128620  3.81463383  4.87652748  1
  H  H12  1  2.79146749  2.23707941  2.94141664  1
  H  H13  1  5.19462051  4.75941659  5.47800236  1
  H  H14  1  2.10945948  1.68180052  0.54487954  1
  H  H15  1  5.87662852  5.31469548  7.87453946  1
  H  H16  1  0.93180279  2.79985853  6.56215410  1
  H  H17  1  7.05428521  4.19663747  1.85726490  1
  H  H18  1  5.11260777  0.34278491  0.24890328  1
  H  H19  1  2.87348023  6.65371109  8.17051572  1
  H  H20  1  6.35759122  1.13090204  0.87425563  1
  H  H21  1  1.62849678  5.86559396  7.54516337  1
  O  O22  1  5.00898033  2.97970478  6.19400659  1
  O  O23  1  2.97710767  4.01679122  2.22541241  1
  O  O24  1  2.97472632  3.16478398  7.49560667  1
  O  O25  1  5.01136168  3.83171202  0.92381233  1
  O  O26  1  3.54654571  1.10526915  6.54796738  1
  O  O27  1  4.43954229  5.89122685  1.87145162  1
  O  O28  1  5.69476526  2.42007772  3.89399813  1
  O  O29  1  2.29132274  4.57641828  4.52542087  1
  O  O30  1  5.70288144  0.70767263  5.49262689  1
  O  O31  1  2.28320656  6.28882337  2.92679211  1
  O  O32  1  2.75332711  1.28536961  3.19082509  1
  O  O33  1  5.23276089  5.71112639  5.22859391  1
  O  O34  1  5.35736739  1.04828773  0.90262065  1
  O  O35  1  2.62872061  5.94820827  7.51679835  1
  O  O36  1  1.51727302  1.05148156  1.01805931  1
  O  O37  1  6.46881498  5.94501444  7.40135969  1
  O  O38  1  0.80269442  2.48962358  5.64660964  1
  O  O39  1  7.18339358  4.50687242  2.77280936  1
[/CIF]
