# generated using pymatgen
data_Li4CrFe2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34261600
_cell_length_b   8.41821365
_cell_length_c   8.42257643
_cell_angle_alpha   63.42160272
_cell_angle_beta   63.77132889
_cell_angle_gamma   63.84411355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CrFe2Ni3(PO4)6
_chemical_formula_sum   'Li4 Cr1 Fe2 Ni3 P6 O24'
_cell_volume   452.23218347
_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  0.75074600  0.14419400  0.35459400  1
  Li  Li1  1  0.26727600  0.85426200  0.64513300  1
  Li  Li2  1  0.64419900  0.26622200  0.85633600  1
  Li  Li3  1  0.85675600  0.64285800  0.26909900  1
  Cr  Cr4  1  0.85671600  0.85268900  0.85561200  1
  Fe  Fe5  1  0.01426000  0.00231200  0.99755500  1
  Fe  Fe6  1  0.48834400  0.50050000  0.49917700  1
  Ni  Ni7  1  0.14220400  0.14740300  0.14623000  1
  Ni  Ni8  1  0.35553600  0.35296900  0.35024300  1
  Ni  Ni9  1  0.64697900  0.64743500  0.65045600  1
  P  P10  1  0.05195200  0.74777300  0.45033400  1
  P  P11  1  0.44764600  0.05094700  0.75149100  1
  P  P12  1  0.74905100  0.44919600  0.05083100  1
  P  P13  1  0.24705300  0.54452000  0.95227600  1
  P  P14  1  0.55206200  0.95277900  0.24872600  1
  P  P15  1  0.94464600  0.24657500  0.54407200  1
  O  O16  1  0.10960300  0.30519600  0.50100700  1
  O  O17  1  0.31478600  0.51743400  0.10484800  1
  O  O18  1  0.05715800  0.90750400  0.26247100  1
  O  O19  1  0.54520100  0.10113000  0.31163100  1
  O  O20  1  0.01496200  0.81217200  0.61192000  1
  O  O21  1  0.25202200  0.59762100  0.43678000  1
  O  O22  1  0.25498400  0.07511000  0.90011700  1
  O  O23  1  0.45237300  0.24474100  0.58872500  1
  O  O24  1  0.17569000  0.39449900  0.98658500  1
  O  O25  1  0.60098600  0.43217900  0.25419200  1
  O  O26  1  0.09809800  0.74937600  0.92353700  1
  O  O27  1  0.38897200  0.00262600  0.18725000  1
  O  O28  1  0.61079300  0.01025600  0.81860400  1
  O  O29  1  0.89493900  0.25118800  0.07779300  1
  O  O30  1  0.39968300  0.56745800  0.74774800  1
  O  O31  1  0.81477800  0.60974600  0.01360000  1
  O  O32  1  0.56642500  0.75000200  0.40240500  1
  O  O33  1  0.75369600  0.92011900  0.09596200  1
  O  O34  1  0.74402500  0.40276700  0.57019900  1
  O  O35  1  0.95762500  0.18031500  0.39757900  1
  O  O36  1  0.47531000  0.89863700  0.68058500  1
  O  O37  1  0.92440500  0.09571900  0.74721800  1
  O  O38  1  0.67831300  0.47581000  0.89895400  1
  O  O39  1  0.89974300  0.67276000  0.48112600  1
