data_[K16Zr4H40C32O84]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.0818]
_cell_length_b [12.6344]
_cell_length_c [16.5361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K4ZrH10C8O21]
_chemical_formula_sum '[K16 Zr4 H40 C32 O84]'
_cell_volume [2300.0994]
_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
[
  K  K0  4  0.0163  0.7377  0.0058  1
  K  K1  4  0.1337  0.6533  0.2392  1
  K  K2  4  0.4028  0.6600  0.4072  1
  K  K3  4  0.4949  0.0767  0.6834  1
  Zr  Zr4  4  0.2507  0.1560  0.3276  1
  H  H5  4  0.0954  0.5552  0.4316  1
  H  H6  4  0.1049  0.6119  0.6586  1
  H  H7  4  0.1752  0.5040  0.5036  1
  H  H8  4  0.2108  0.6298  0.6029  1
  H  H9  4  0.2546  0.5853  0.1010  1
  H  H10  4  0.2697  0.6313  0.0135  1
  H  H11  4  0.3198  0.7049  0.7236  1
  H  H12  4  0.3694  0.6761  0.2236  1
  H  H13  4  0.4406  0.5533  0.5842  1
  H  H14  4  0.4862  0.1546  0.8853  1
  C  C15  4  0.0527  0.5168  0.8743  1
  C  C16  4  0.1129  0.1329  0.8230  1
  C  C17  4  0.1705  0.1120  0.1468  1
  C  C18  4  0.1735  0.5812  0.8602  1
  C  C19  4  0.2476  0.1029  0.8169  1
  C  C20  4  0.3102  0.0944  0.1575  1
  C  C21  4  0.3178  0.1650  0.5113  1
  C  C22  4  0.4401  0.1431  0.4757  1
  O  O23  4  0.0336  0.0627  0.8196  1
  O  O24  4  0.0387  0.0538  0.6075  1
  O  O25  4  0.0951  0.2332  0.8328  1
  O  O26  4  0.1099  0.1028  0.0792  1
  O  O27  4  0.1274  0.1355  0.2144  1
  O  O28  4  0.1656  0.5699  0.4716  1
  O  O29  4  0.1737  0.6778  0.8705  1
  O  O30  4  0.1759  0.6573  0.6502  1
  O  O31  4  0.2061  0.6085  0.0458  1
  O  O32  4  0.2239  0.1646  0.4550  1
  O  O33  4  0.2549  0.5207  0.8368  1
  O  O34  4  0.2799  0.0099  0.8154  1
  O  O35  4  0.3148  0.1838  0.5840  1
  O  O36  4  0.3186  0.1856  0.8152  1
  O  O37  4  0.3367  0.5750  0.1786  1
  O  O38  4  0.3613  0.1131  0.2305  1
  O  O39  4  0.3622  0.0635  0.0992  1
  O  O40  4  0.3783  0.7486  0.2552  1
  O  O41  4  0.4273  0.1327  0.3970  1
  O  O42  4  0.4632  0.6391  0.9786  1
  O  O43  4  0.4670  0.6234  0.5670  1
]