data_[Li4Fe1Co2Ni3P6O24]
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
  Co  1.8800  1.3500  0.7683
  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 [8.3533]
_cell_length_b [8.4611]
_cell_length_c [8.6242]
_cell_angle_alpha [91.8513]
_cell_angle_beta [118.7620]
_cell_angle_gamma [118.1288]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4FeCo2Ni3(PO4)6]
_chemical_formula_sum '[Li4 Fe1 Co2 Ni3 P6 O24]'
_cell_volume [443.9620]
_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  0.1419  0.9159  0.3993  1
  Li  Li1  1  0.5071  0.2665  0.1008  1
  Li  Li2  1  0.8021  0.6307  0.7076  1
  Li  Li3  1  0.8899  0.1423  0.6297  1
  Fe  Fe4  1  0.2960  0.8509  0.1538  1
  Co  Co5  1  0.0184  0.5102  0.5180  1
  Co  Co6  1  0.9592  0.9857  0.9856  1
  Ni  Ni7  1  0.2746  0.3447  0.6377  1
  Ni  Ni8  1  0.7102  0.1520  0.8561  1
  Ni  Ni9  1  0.7125  0.6457  0.3471  1
  P  P10  1  0.2022  0.9667  0.7597  1
  P  P11  1  0.2058  0.4328  0.9620  1
  P  P12  1  0.4764  0.7429  0.5438  1
  P  P13  1  0.5332  0.2482  0.4632  1
  P  P14  1  0.7988  0.0335  0.2479  1
  P  P15  1  0.8020  0.5656  0.0388  1
  O  O16  1  0.0169  0.2274  0.9137  1
  O  O17  1  0.0945  0.7934  0.5893  1
  O  O18  1  0.1107  0.8806  0.8834  1
  O  O19  1  0.1285  0.1007  0.6940  1
  O  O20  1  0.1707  0.4540  0.7717  1
  O  O21  1  0.1893  0.5804  0.0556  1
  O  O22  1  0.2881  0.5594  0.5318  1
  O  O23  1  0.3579  0.8193  0.3998  1
  O  O24  1  0.3686  0.2477  0.4960  1
  O  O25  1  0.3976  0.1240  0.2509  1
  O  O26  1  0.4240  0.4581  0.1025  1
  O  O27  1  0.4540  0.0852  0.8793  1
  O  O28  1  0.5499  0.9305  0.1584  1
  O  O29  1  0.5863  0.5287  0.8755  1
  O  O30  1  0.6201  0.7044  0.5075  1
  O  O31  1  0.6379  0.8875  0.7483  1
  O  O32  1  0.6599  0.1774  0.6013  1
  O  O33  1  0.7191  0.4490  0.4858  1
  O  O34  1  0.8095  0.5160  0.2121  1
  O  O35  1  0.8328  0.4402  0.9320  1
  O  O36  1  0.8572  0.0950  0.1056  1
  O  O37  1  0.8604  0.8908  0.3078  1
  O  O38  1  0.9222  0.2129  0.4179  1
  O  O39  1  0.9907  0.7801  0.1054  1
]