data_[Li19Cu4H8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4981]
_cell_length_b [7.4429]
_cell_length_c [11.0025]
_cell_angle_alpha [89.6346]
_cell_angle_beta [89.5066]
_cell_angle_gamma [89.8659]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li19Cu4(HO2)8]
_chemical_formula_sum '[Li19 Cu4 H8 O16]'
_cell_volume [450.2148]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0357  0.7500  0.7384  1
  Li  Li1  1  0.0590  0.2499  0.0490  1
  Li  Li2  1  0.0625  0.7656  0.2057  1
  Li  Li3  1  0.2122  0.4998  0.8500  1
  Li  Li4  1  0.2174  0.9961  0.8512  1
  Li  Li5  1  0.2664  0.4946  0.3405  1
  Li  Li6  1  0.2882  0.0029  0.3418  1
  Li  Li7  1  0.4259  0.2501  0.7162  1
  Li  Li8  1  0.4451  0.2585  0.2256  1
  Li  Li9  1  0.5142  0.7471  0.7559  1
  Li  Li10  1  0.5480  0.2511  0.4517  1
  Li  Li11  1  0.5572  0.7330  0.2795  1
  Li  Li12  1  0.7137  0.9908  0.6523  1
  Li  Li13  1  0.7163  0.5082  0.6537  1
  Li  Li14  1  0.7760  0.0055  0.1520  1
  Li  Li15  1  0.7957  0.4939  0.1546  1
  Li  Li16  1  0.9387  0.2410  0.7802  1
  Li  Li17  1  0.9400  0.7486  0.9513  1
  Li  Li18  1  0.9410  0.2349  0.2740  1
  Cu  Cu19  1  0.0001  0.2505  0.5176  1
  Cu  Cu20  1  0.0168  0.7497  0.4784  1
  Cu  Cu21  1  0.4978  0.7503  0.0196  1
  Cu  Cu22  1  0.5068  0.2488  0.9814  1
  H  H23  1  0.2592  0.5178  0.1078  1
  H  H24  1  0.2632  0.9919  0.1096  1
  H  H25  1  0.2724  0.9726  0.6120  1
  H  H26  1  0.2731  0.5271  0.6118  1
  H  H27  1  0.7401  0.0058  0.8858  1
  H  H28  1  0.7409  0.4888  0.8860  1
  H  H29  1  0.7410  0.9786  0.3885  1
  H  H30  1  0.7416  0.5105  0.3895  1
  O  O31  1  0.1504  0.0385  0.1715  1
  O  O32  1  0.1601  0.4542  0.1686  1
  O  O33  1  0.2169  0.2478  0.3950  1
  O  O34  1  0.2320  0.7493  0.3560  1
  O  O35  1  0.2416  0.2480  0.8851  1
  O  O36  1  0.2738  0.7476  0.9031  1
  O  O37  1  0.3578  0.9794  0.6889  1
  O  O38  1  0.3578  0.5205  0.6890  1
  O  O39  1  0.6431  0.4651  0.3228  1
  O  O40  1  0.6551  0.0438  0.3246  1
  O  O41  1  0.7243  0.2513  0.1019  1
  O  O42  1  0.7447  0.2503  0.6215  1
  O  O43  1  0.7561  0.7498  0.1213  1
  O  O44  1  0.8127  0.7502  0.6024  1
  O  O45  1  0.8540  0.5384  0.8258  1
  O  O46  1  0.8581  0.9662  0.8247  1
]