data_[Na4Li2V10H36O46]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.6952]
_cell_length_b [10.6413]
_cell_length_c [12.0988]
_cell_angle_alpha [105.4821]
_cell_angle_beta [101.9070]
_cell_angle_gamma [99.2542]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2LiV5H18O23]
_chemical_formula_sum '[Na4 Li2 V10 H36 O46]'
_cell_volume [1027.6046]
_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
[
  Na  Na0  2  0.0052  0.2497  0.3069  1
  Na  Na1  2  0.2224  0.8497  0.5161  1
  Li  Li2  2  0.0044  0.7883  0.9333  1
  V  V3  2  0.2126  0.3415  0.7270  1
  V  V4  2  0.3129  0.5119  0.9964  1
  V  V5  2  0.4005  0.2259  0.9186  1
  V  V6  2  0.4279  0.6834  0.2632  1
  V  V7  2  0.4963  0.6030  0.8138  1
  H  H8  2  0.0093  0.5431  0.8292  1
  H  H9  2  0.0318  0.1897  0.8572  1
  H  H10  2  0.0496  0.0414  0.3887  1
  H  H11  2  0.1075  0.5835  0.4928  1
  H  H12  2  0.1177  0.0216  0.1417  1
  H  H13  2  0.1195  0.0353  0.7016  1
  H  H14  2  0.1379  0.7795  0.1332  1
  H  H15  2  0.1709  0.4430  0.2113  1
  H  H16  2  0.2151  0.5963  0.6173  1
  H  H17  2  0.2512  0.1539  0.1679  1
  H  H18  2  0.2727  0.9237  0.9119  1
  H  H19  2  0.2808  0.7741  0.9048  1
  H  H20  2  0.2945  0.1240  0.5225  1
  H  H21  2  0.3258  0.3577  0.4931  1
  H  H22  2  0.3308  0.4258  0.3917  1
  H  H23  2  0.3404  0.0487  0.4073  1
  H  H24  2  0.4988  0.0165  0.7195  1
  H  H25  2  0.4998  0.1360  0.2967  1
  O  O26  2  0.0401  0.2881  0.6265  1
  O  O27  2  0.0567  0.3934  0.1881  1
  O  O28  2  0.0613  0.8317  0.1094  1
  O  O29  2  0.0614  0.9480  0.6428  1
  O  O30  2  0.1338  0.1186  0.1517  1
  O  O31  2  0.1507  0.4477  0.8694  1
  O  O32  2  0.1530  0.6462  0.5727  1
  O  O33  2  0.2060  0.8304  0.8839  1
  O  O34  2  0.2098  0.2079  0.8036  1
  O  O35  2  0.2462  0.6039  0.1105  1
  O  O36  2  0.2563  0.0434  0.4517  1
  O  O37  2  0.2587  0.3821  0.4303  1
  O  O38  2  0.2971  0.5156  0.7183  1
  O  O39  2  0.3155  0.3534  0.0387  1
  O  O40  2  0.3323  0.7548  0.3560  1
  O  O41  2  0.3592  0.2762  0.6463  1
  O  O42  2  0.3622  0.0888  0.9554  1
  O  O43  2  0.3941  0.5058  0.2713  1
  O  O44  2  0.4020  0.6694  0.9517  1
  O  O45  2  0.4565  0.4282  0.8866  1
  O  O46  2  0.4626  0.2583  0.2225  1
  O  O47  2  0.4834  0.8162  0.1900  1
  O  O48  2  0.4895  0.9296  0.6593  1
]