# generated using pymatgen
data_Li6V3Fe(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63366379
_cell_length_b   8.63495520
_cell_length_c   8.65037426
_cell_angle_alpha   61.62833421
_cell_angle_beta   61.32144840
_cell_angle_gamma   61.40279310
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6V3Fe(PO4)6
_chemical_formula_sum   'Li6 V3 Fe1 P6 O24'
_cell_volume   470.86032912
_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  0.02534100  0.00614400  0.99695000  1
  Li  Li1  1  0.75023600  0.15296400  0.34777200  1
  Li  Li2  1  0.47413200  0.50234500  0.49057900  1
  Li  Li3  1  0.24315700  0.84698100  0.65728000  1
  Li  Li4  1  0.66025300  0.24011700  0.84629900  1
  Li  Li5  1  0.84462800  0.66215500  0.24141500  1
  V  V6  1  0.14412600  0.14512700  0.13798500  1
  V  V7  1  0.35618300  0.36234500  0.35518100  1
  V  V8  1  0.64451100  0.64606500  0.64594900  1
  Fe  Fe9  1  0.85179900  0.85024500  0.85243000  1
  P  P10  1  0.04713900  0.75097500  0.45067700  1
  P  P11  1  0.45280500  0.05100900  0.74798200  1
  P  P12  1  0.75002900  0.45306300  0.04703500  1
  P  P13  1  0.24886800  0.54478600  0.95781100  1
  P  P14  1  0.54546200  0.96135300  0.24902200  1
  P  P15  1  0.95610200  0.24782400  0.54073000  1
  O  O16  1  0.12599400  0.28880100  0.50238300  1
  O  O17  1  0.29917200  0.51309800  0.11918100  1
  O  O18  1  0.04582000  0.92126600  0.26997000  1
  O  O19  1  0.52814100  0.12071200  0.29781900  1
  O  O20  1  0.23794000  0.59399400  0.42946800  1
  O  O21  1  0.01395500  0.80560100  0.61387100  1
  O  O22  1  0.26258700  0.07041500  0.90573700  1
  O  O23  1  0.45470600  0.23248800  0.57906000  1
  O  O24  1  0.59422000  0.43276600  0.24082800  1
  O  O25  1  0.19982200  0.38290000  0.98759800  1
  O  O26  1  0.08681200  0.73696000  0.93442300  1
  O  O27  1  0.37504900  0.00017100  0.20874300  1
  O  O28  1  0.61253100  0.01317900  0.80978000  1
  O  O29  1  0.90528800  0.25940600  0.07098500  1
  O  O30  1  0.80929600  0.61214900  0.01409500  1
  O  O31  1  0.40850400  0.57217900  0.76438700  1
  O  O32  1  0.57144400  0.76838700  0.40640400  1
  O  O33  1  0.73395800  0.93699300  0.08373300  1
  O  O34  1  0.97255900  0.20223300  0.38005600  1
  O  O35  1  0.76550600  0.41006100  0.57066500  1
  O  O36  1  0.48803700  0.88944500  0.68964600  1
  O  O37  1  0.93355900  0.08631900  0.73107600  1
  O  O38  1  0.69253600  0.48525000  0.88919300  1
  O  O39  1  0.88779200  0.69073300  0.48679700  1
