data_[Li4Fe1Ni5P6O24]
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 [8.3310]
_cell_length_b [8.3960]
_cell_length_c [8.4104]
_cell_angle_alpha [63.2509]
_cell_angle_beta [63.4424]
_cell_angle_gamma [63.5818]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4FeNi5(PO4)6]
_chemical_formula_sum '[Li4 Fe1 Ni5 P6 O24]'
_cell_volume [447.4952]
_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  0.2645  0.8542  0.6453  1
  Li  Li1  1  0.6446  0.2637  0.8548  1
  Li  Li2  1  0.7474  0.1456  0.3561  1
  Li  Li3  1  0.8547  0.6446  0.2651  1
  Fe  Fe4  1  0.8510  0.8494  0.8517  1
  Ni  Ni5  1  0.0078  0.0024  0.9970  1
  Ni  Ni6  1  0.1426  0.1445  0.1450  1
  Ni  Ni7  1  0.3580  0.3564  0.3568  1
  Ni  Ni8  1  0.4935  0.5025  0.4989  1
  Ni  Ni9  1  0.6455  0.6465  0.6485  1
  P  P10  1  0.0560  0.7469  0.4458  1
  P  P11  1  0.2493  0.5477  0.9532  1
  P  P12  1  0.4425  0.0521  0.7515  1
  P  P13  1  0.5524  0.9543  0.2503  1
  P  P14  1  0.7492  0.4448  0.0520  1
  P  P15  1  0.9479  0.2487  0.5461  1
  O  O16  1  0.0130  0.8158  0.6079  1
  O  O17  1  0.0537  0.9120  0.2580  1
  O  O18  1  0.0965  0.7491  0.9294  1
  O  O19  1  0.1116  0.3098  0.5012  1
  O  O20  1  0.1798  0.3921  0.9885  1
  O  O21  1  0.2486  0.0724  0.9037  1
  O  O22  1  0.2508  0.5983  0.4314  1
  O  O23  1  0.3167  0.5122  0.1089  1
  O  O24  1  0.3895  0.0005  0.1876  1
  O  O25  1  0.4008  0.5681  0.7531  1
  O  O26  1  0.4511  0.2406  0.5896  1
  O  O27  1  0.4727  0.8959  0.6840  1
  O  O28  1  0.5388  0.1050  0.3138  1
  O  O29  1  0.5684  0.7540  0.4029  1
  O  O30  1  0.6031  0.4288  0.2517  1
  O  O31  1  0.6055  0.0081  0.8227  1
  O  O32  1  0.6801  0.4747  0.8978  1
  O  O33  1  0.7487  0.4032  0.5722  1
  O  O34  1  0.7537  0.9253  0.0945  1
  O  O35  1  0.8206  0.6045  0.0112  1
  O  O36  1  0.8982  0.6785  0.4763  1
  O  O37  1  0.8987  0.2463  0.0744  1
  O  O38  1  0.9294  0.0946  0.7480  1
  O  O39  1  0.9632  0.1830  0.3962  1
]