data_[Zr10Si12H72C24Br40O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.2567]
_cell_length_b [23.7508]
_cell_length_c [14.1864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr5Si6H36C12(Br10O3)2]
_chemical_formula_sum '[Zr10 Si12 H72 C24 Br40 O12]'
_cell_volume [3430.2530]
_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
[
  Zr  Zr0  4  0.0912  0.1333  0.9504  1
  Zr  Zr1  4  0.1611  0.6897  0.4001  1
  Zr  Zr2  2  0.5000  0.0000  0.5000  1
  Si  Si3  4  0.3363  0.1109  0.5658  1
  Si  Si4  4  0.3519  0.0816  0.3434  1
  Si  Si5  4  0.4863  0.0257  0.7278  1
  H  H6  4  0.1113  0.0704  0.5531  1
  H  H7  4  0.1121  0.1399  0.5052  1
  H  H8  4  0.1181  0.1059  0.3187  1
  H  H9  4  0.1283  0.1304  0.6294  1
  H  H10  4  0.1401  0.0314  0.3285  1
  H  H11  4  0.1636  0.0675  0.2214  1
  H  H12  4  0.3025  0.5386  0.2494  1
  H  H13  4  0.3134  0.0181  0.8328  1
  H  H14  4  0.3278  0.5480  0.6502  1
  H  H15  4  0.3319  0.5949  0.7487  1
  H  H16  4  0.3740  0.2118  0.5409  1
  H  H17  4  0.3809  0.1814  0.3109  1
  H  H18  4  0.4004  0.1939  0.6626  1
  H  H19  4  0.4258  0.5386  0.3495  1
  H  H20  4  0.4304  0.1391  0.2188  1
  H  H21  4  0.4445  0.6030  0.6632  1
  H  H22  4  0.4636  0.6465  0.1721  1
  H  H23  4  0.4763  0.6781  0.9118  1
  C  C24  4  0.1557  0.1125  0.5632  1
  C  C25  4  0.1776  0.0702  0.2996  1
  C  C26  4  0.3707  0.5118  0.2953  1
  C  C27  4  0.3932  0.5721  0.7030  1
  C  C28  4  0.4172  0.1796  0.5914  1
  C  C29  4  0.4336  0.1427  0.2963  1
  Br  Br30  4  0.0176  0.0714  0.8076  1
  Br  Br31  4  0.0883  0.5809  0.4475  1
  Br  Br32  4  0.1146  0.1998  0.1139  1
  Br  Br33  4  0.1223  0.7036  0.5894  1
  Br  Br34  4  0.1557  0.6576  0.2284  1
  Br  Br35  4  0.1742  0.7051  0.8732  1
  Br  Br36  4  0.2363  0.1998  0.8670  1
  Br  Br37  4  0.2762  0.0700  0.0284  1
  Br  Br38  4  0.2891  0.5584  0.9945  1
  Br  Br39  4  0.4024  0.6714  0.4534  1
  O  O40  4  0.3775  0.0813  0.4638  1
  O  O41  4  0.4121  0.0582  0.6301  1
  O  O42  4  0.4409  0.0215  0.3405  1
]