data_[Li12V10P16O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.1820]
_cell_length_b [10.5250]
_cell_length_c [13.2045]
_cell_angle_alpha [87.8603]
_cell_angle_beta [73.7691]
_cell_angle_gamma [66.1792]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li6V5(P2O7)4]
_chemical_formula_sum '[Li12 V10 P16 O56]'
_cell_volume [1116.6964]
_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
[
  Li  Li0  2  0.0843  0.8722  0.9394  1
  Li  Li1  2  0.1083  0.8609  0.4439  1
  Li  Li2  2  0.1110  0.4048  0.6795  1
  Li  Li3  2  0.1214  0.4087  0.1716  1
  Li  Li4  2  0.1774  0.9887  0.7223  1
  Li  Li5  1  0.5000  0.5000  0.0000  1
  Li  Li6  1  0.5000  0.5000  0.5000  1
  V  V7  2  0.1007  0.2822  0.3924  1
  V  V8  2  0.1017  0.2782  0.8885  1
  V  V9  2  0.1956  0.0103  0.2414  1
  V  V10  2  0.4912  0.2434  0.9343  1
  V  V11  2  0.4987  0.7588  0.5675  1
  P  P12  2  0.1793  0.6952  0.7100  1
  P  P13  2  0.1915  0.6972  0.2111  1
  P  P14  2  0.1937  0.5550  0.9008  1
  P  P15  2  0.2022  0.5513  0.3994  1
  P  P16  2  0.2845  0.0390  0.9724  1
  P  P17  2  0.2897  0.0398  0.4705  1
  P  P18  2  0.4492  0.1919  0.1868  1
  P  P19  2  0.4630  0.1937  0.6825  1
  O  O20  2  0.0652  0.6250  0.6996  1
  O  O21  2  0.0664  0.6378  0.2030  1
  O  O22  2  0.0733  0.8486  0.7614  1
  O  O23  2  0.0843  0.4866  0.8793  1
  O  O24  2  0.0887  0.6928  0.9699  1
  O  O25  2  0.0908  0.6894  0.4674  1
  O  O26  2  0.0958  0.4823  0.3747  1
  O  O27  2  0.0996  0.8491  0.2652  1
  O  O28  2  0.1369  0.0446  0.9337  1
  O  O29  2  0.1457  0.0454  0.4237  1
  O  O30  2  0.2752  0.1895  0.2383  1
  O  O31  2  0.2756  0.1873  0.9825  1
  O  O32  2  0.2784  0.1885  0.4826  1
  O  O33  2  0.2786  0.2276  0.7332  1
  O  O34  2  0.2791  0.6041  0.7898  1
  O  O35  2  0.2866  0.9619  0.5693  1
  O  O36  2  0.2913  0.5978  0.2886  1
  O  O37  2  0.2951  0.9605  0.0717  1
  O  O38  2  0.3107  0.6825  0.6072  1
  O  O39  2  0.3212  0.6795  0.1059  1
  O  O40  2  0.3359  0.4577  0.9403  1
  O  O41  2  0.3392  0.4556  0.4439  1
  O  O42  2  0.4375  0.8328  0.2361  1
  O  O43  2  0.4376  0.3007  0.1063  1
  O  O44  2  0.4531  0.9604  0.8815  1
  O  O45  2  0.4559  0.8114  0.7351  1
  O  O46  2  0.4629  0.9617  0.3814  1
  O  O47  2  0.4942  0.2883  0.5973  1
]