data_[Li8Fe7Ni1P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6880]
_cell_length_b [8.8223]
_cell_length_c [12.2690]
_cell_angle_alpha [89.8699]
_cell_angle_beta [89.9668]
_cell_angle_gamma [89.9617]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li8Fe7Ni(PO4)12]
_chemical_formula_sum '[Li8 Fe7 Ni1 P12 O48]'
_cell_volume [940.3908]
_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  0.2177  0.7222  0.1831  1
  Li  Li1  1  0.2186  0.7776  0.8167  1
  Li  Li2  1  0.2816  0.2220  0.3176  1
  Li  Li3  1  0.2829  0.2777  0.6823  1
  Li  Li4  1  0.7166  0.7222  0.3176  1
  Li  Li5  1  0.7172  0.7763  0.6826  1
  Li  Li6  1  0.7828  0.2785  0.8142  1
  Li  Li7  1  0.7828  0.2223  0.1831  1
  Fe  Fe8  1  0.2485  0.5415  0.3868  1
  Fe  Fe9  1  0.2497  0.9581  0.6134  1
  Fe  Fe10  1  0.2505  0.0410  0.1134  1
  Fe  Fe11  1  0.2508  0.4581  0.8873  1
  Fe  Fe12  1  0.7495  0.0406  0.3867  1
  Fe  Fe13  1  0.7496  0.9594  0.8862  1
  Fe  Fe14  1  0.7504  0.5406  0.1122  1
  Ni  Ni15  1  0.7489  0.4605  0.6141  1
  P  P16  1  0.0388  0.2513  0.5006  1
  P  P17  1  0.1061  0.3927  0.1464  1
  P  P18  1  0.1062  0.1071  0.8533  1
  P  P19  1  0.3942  0.8928  0.3535  1
  P  P20  1  0.3955  0.6079  0.6466  1
  P  P21  1  0.4601  0.7499  1.0000  1
  P  P22  1  0.5396  0.2500  0.9999  1
  P  P23  1  0.6054  0.1086  0.6468  1
  P  P24  1  0.6056  0.3919  0.3526  1
  P  P25  1  0.8940  0.6073  0.8530  1
  P  P26  1  0.8940  0.8923  0.1464  1
  P  P27  1  0.9613  0.7497  0.5001  1
  O  O28  1  0.0570  0.6425  0.4293  1
  O  O29  1  0.0584  0.8562  0.5701  1
  O  O30  1  0.0728  0.8953  0.1552  1
  O  O31  1  0.0730  0.6041  0.8437  1
  O  O32  1  0.1468  0.1624  0.5793  1
  O  O33  1  0.1474  0.3386  0.4213  1
  O  O34  1  0.1565  0.4348  0.0309  1
  O  O35  1  0.1568  0.0652  0.9690  1
  O  O36  1  0.1624  0.2324  0.1795  1
  O  O37  1  0.1630  0.2670  0.8204  1
  O  O38  1  0.1732  0.9872  0.7731  1
  O  O39  1  0.1736  0.5121  0.2268  1
  O  O40  1  0.3268  0.0123  0.2737  1
  O  O41  1  0.3285  0.4873  0.7269  1
  O  O42  1  0.3377  0.7322  0.3211  1
  O  O43  1  0.3380  0.7678  0.6791  1
  O  O44  1  0.3426  0.9345  0.4692  1
  O  O45  1  0.3439  0.5644  0.5312  1
  O  O46  1  0.3508  0.6624  0.9216  1
  O  O47  1  0.3512  0.8376  0.0785  1
  O  O48  1  0.4263  0.1039  0.6545  1
  O  O49  1  0.4268  0.3944  0.3444  1
  O  O50  1  0.4424  0.1429  0.0697  1
  O  O51  1  0.4427  0.3573  0.9304  1
  O  O52  1  0.5579  0.8565  0.9300  1
  O  O53  1  0.5579  0.6430  0.0695  1
  O  O54  1  0.5725  0.8954  0.3449  1
  O  O55  1  0.5728  0.6063  0.6569  1
  O  O56  1  0.6489  0.3372  0.0786  1
  O  O57  1  0.6492  0.1629  0.9214  1
  O  O58  1  0.6559  0.4395  0.4668  1
  O  O59  1  0.6561  0.0661  0.5306  1
  O  O60  1  0.6602  0.2667  0.6800  1
  O  O61  1  0.6630  0.2322  0.3205  1
  O  O62  1  0.6716  0.5122  0.2720  1
  O  O63  1  0.6724  0.9873  0.7263  1
  O  O64  1  0.8272  0.0117  0.2268  1
  O  O65  1  0.8297  0.4871  0.7745  1
  O  O66  1  0.8373  0.7321  0.1791  1
  O  O67  1  0.8378  0.7682  0.8208  1
  O  O68  1  0.8433  0.9342  0.0307  1
  O  O69  1  0.8433  0.5654  0.9690  1
  O  O70  1  0.8514  0.8369  0.4218  1
  O  O71  1  0.8528  0.6646  0.5789  1
  O  O72  1  0.9273  0.3961  0.1557  1
  O  O73  1  0.9275  0.1039  0.8445  1
  O  O74  1  0.9395  0.1453  0.4304  1
  O  O75  1  0.9471  0.3543  0.5753  1
]