The crystal structure described by Li4CrFe2Ni3(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(17), one O(21), and one O(5) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(19), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(19), and one O(24) atom. Cr(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Cr(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-55°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-53°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-53°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Ni(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Fe(1), one Ni(1), and one P(3) atom to form distorted corner-sharing OLiFeNiP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Fe(2), one Ni(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Cr(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(2), one Ni(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Cr(1), one Fe(1), and one P(5) atom to form distorted corner-sharing OLiCrFeP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Fe(2), one Ni(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Cr(1), one Fe(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(3), one Ni(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Li(4), one Ni(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4CrFe2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   8.418
_cell_length_c   8.423
_cell_angle_alpha   63.422
_cell_angle_beta   63.771
_cell_angle_gamma   63.844
_symmetry_Int_Tables_number   1
_cell_volume   452.232
_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  0.751  0.144  0.355  1.0
  Li  Li1  1  0.267  0.854  0.645  1.0
  Li  Li2  1  0.644  0.266  0.856  1.0
  Li  Li3  1  0.857  0.643  0.269  1.0
  Cr  Cr4  1  0.857  0.853  0.856  1.0
  Fe  Fe5  1  0.014  0.002  0.998  1.0
  Fe  Fe6  1  0.488  0.500  0.499  1.0
  Ni  Ni7  1  0.142  0.147  0.146  1.0
  Ni  Ni8  1  0.356  0.353  0.350  1.0
  Ni  Ni9  1  0.647  0.647  0.650  1.0
  P  P10  1  0.052  0.748  0.450  1.0
  P  P11  1  0.448  0.051  0.751  1.0
  P  P12  1  0.749  0.449  0.051  1.0
  P  P13  1  0.247  0.545  0.952  1.0
  P  P14  1  0.552  0.953  0.249  1.0
  P  P15  1  0.945  0.247  0.544  1.0
  O  O16  1  0.110  0.305  0.501  1.0
  O  O17  1  0.315  0.517  0.105  1.0
  O  O18  1  0.057  0.908  0.262  1.0
  O  O19  1  0.545  0.101  0.312  1.0
  O  O20  1  0.015  0.812  0.612  1.0
  O  O21  1  0.252  0.598  0.437  1.0
  O  O22  1  0.255  0.075  0.900  1.0
  O  O23  1  0.452  0.245  0.589  1.0
  O  O24  1  0.176  0.394  0.987  1.0
  O  O25  1  0.601  0.432  0.254  1.0
  O  O26  1  0.098  0.749  0.924  1.0
  O  O27  1  0.389  0.003  0.187  1.0
  O  O28  1  0.611  0.010  0.819  1.0
  O  O29  1  0.895  0.251  0.078  1.0
  O  O30  1  0.400  0.567  0.748  1.0
  O  O31  1  0.815  0.610  0.014  1.0
  O  O32  1  0.566  0.750  0.402  1.0
  O  O33  1  0.754  0.920  0.096  1.0
  O  O34  1  0.744  0.403  0.570  1.0
  O  O35  1  0.958  0.180  0.398  1.0
  O  O36  1  0.475  0.899  0.681  1.0
  O  O37  1  0.924  0.096  0.747  1.0
  O  O38  1  0.678  0.476  0.899  1.0
  O  O39  1  0.900  0.673  0.481  1.0
[/CIF]
.
The crystal structure described by Li4CrFe2Ni3(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(17), one O(21), and one O(5) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(19), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(19), and one O(24) atom. Cr(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Cr(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-55°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-53°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-53°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Ni(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Ni(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Fe(1), one Ni(1), and one P(3) atom to form distorted corner-sharing OLiFeNiP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Fe(2), one Ni(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Cr(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(2), one Ni(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Cr(1), one Fe(1), and one P(5) atom to form distorted corner-sharing OLiCrFeP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Fe(2), one Ni(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Cr(1), one Fe(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(3), one Ni(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Li(4), one Ni(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4CrFe2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   8.418
_cell_length_c   8.423
_cell_angle_alpha   63.422
_cell_angle_beta   63.771
_cell_angle_gamma   63.844
_symmetry_Int_Tables_number   1
_cell_volume   452.232
_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  0.751  0.144  0.355  1.0
  Li  Li1  1  0.267  0.854  0.645  1.0
  Li  Li2  1  0.644  0.266  0.856  1.0
  Li  Li3  1  0.857  0.643  0.269  1.0
  Cr  Cr4  1  0.857  0.853  0.856  1.0
  Fe  Fe5  1  0.014  0.002  0.998  1.0
  Fe  Fe6  1  0.488  0.500  0.499  1.0
  Ni  Ni7  1  0.142  0.147  0.146  1.0
  Ni  Ni8  1  0.356  0.353  0.350  1.0
  Ni  Ni9  1  0.647  0.647  0.650  1.0
  P  P10  1  0.052  0.748  0.450  1.0
  P  P11  1  0.448  0.051  0.751  1.0
  P  P12  1  0.749  0.449  0.051  1.0
  P  P13  1  0.247  0.545  0.952  1.0
  P  P14  1  0.552  0.953  0.249  1.0
  P  P15  1  0.945  0.247  0.544  1.0
  O  O16  1  0.110  0.305  0.501  1.0
  O  O17  1  0.315  0.517  0.105  1.0
  O  O18  1  0.057  0.908  0.262  1.0
  O  O19  1  0.545  0.101  0.312  1.0
  O  O20  1  0.015  0.812  0.612  1.0
  O  O21  1  0.252  0.598  0.437  1.0
  O  O22  1  0.255  0.075  0.900  1.0
  O  O23  1  0.452  0.245  0.589  1.0
  O  O24  1  0.176  0.394  0.987  1.0
  O  O25  1  0.601  0.432  0.254  1.0
  O  O26  1  0.098  0.749  0.924  1.0
  O  O27  1  0.389  0.003  0.187  1.0
  O  O28  1  0.611  0.010  0.819  1.0
  O  O29  1  0.895  0.251  0.078  1.0
  O  O30  1  0.400  0.567  0.748  1.0
  O  O31  1  0.815  0.610  0.014  1.0
  O  O32  1  0.566  0.750  0.402  1.0
  O  O33  1  0.754  0.920  0.096  1.0
  O  O34  1  0.744  0.403  0.570  1.0
  O  O35  1  0.958  0.180  0.398  1.0
  O  O36  1  0.475  0.899  0.681  1.0
  O  O37  1  0.924  0.096  0.747  1.0
  O  O38  1  0.678  0.476  0.899  1.0
  O  O39  1  0.900  0.673  0.481  1.0
[/CIF]
.