# generated using pymatgen
data_Li6NbNi3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73023700
_cell_length_b   8.78289375
_cell_length_c   8.79045406
_cell_angle_alpha   60.54599739
_cell_angle_beta   60.37841812
_cell_angle_gamma   60.67343367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6NbNi3(PO4)6
_chemical_formula_sum   'Li6 Nb1 Ni3 P6 O24'
_cell_volume   482.33590880
_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  0.03284100  0.02396300  0.01226500  1
  Li  Li1  1  0.74179600  0.15977400  0.35040600  1
  Li  Li2  1  0.47163400  0.49677600  0.48378400  1
  Li  Li3  1  0.31143900  0.83772600  0.64419500  1
  Li  Li4  1  0.64676600  0.31474900  0.83237500  1
  Li  Li5  1  0.83524100  0.64514000  0.31311500  1
  Nb  Nb6  1  0.85242500  0.85180100  0.85375400  1
  Ni  Ni7  1  0.14440600  0.14778200  0.14298200  1
  Ni  Ni8  1  0.35595600  0.35918600  0.35361000  1
  Ni  Ni9  1  0.64815700  0.65053700  0.64968900  1
  P  P10  1  0.04783900  0.75033900  0.44213800  1
  P  P11  1  0.44447700  0.04762400  0.74720900  1
  P  P12  1  0.74916200  0.44478400  0.04403500  1
  P  P13  1  0.25191500  0.53749400  0.95883100  1
  P  P14  1  0.53999600  0.96283400  0.25383200  1
  P  P15  1  0.95664400  0.25105800  0.53278200  1
  O  O16  1  0.13329300  0.26715300  0.50726900  1
  O  O17  1  0.27560400  0.52047300  0.12634600  1
  O  O18  1  0.05197900  0.92209800  0.26640600  1
  O  O19  1  0.54457400  0.12153500  0.27815000  1
  O  O20  1  0.23298800  0.59394800  0.44003500  1
  O  O21  1  0.98469200  0.81274600  0.61275300  1
  O  O22  1  0.26122600  0.07972400  0.90394800  1
  O  O23  1  0.47186900  0.22106600  0.57619400  1
  O  O24  1  0.59349200  0.44199800  0.23337500  1
  O  O25  1  0.19808600  0.38272700  0.98677200  1
  O  O26  1  0.09815300  0.73519600  0.90521800  1
  O  O27  1  0.37721300  0.00548400  0.20464600  1
  O  O28  1  0.61281200  0.97940900  0.81684500  1
  O  O29  1  0.90584000  0.25780500  0.07323100  1
  O  O30  1  0.81703700  0.61007200  0.98313300  1
  O  O31  1  0.42272100  0.55077300  0.77556200  1
  O  O32  1  0.55020700  0.77918100  0.42319300  1
  O  O33  1  0.73570700  0.90342500  0.09698200  1
  O  O34  1  0.96619000  0.20131300  0.38339500  1
  O  O35  1  0.77755700  0.42419400  0.55119900  1
  O  O36  1  0.46962100  0.88960200  0.69788100  1
  O  O37  1  0.90462700  0.09737700  0.73243600  1
  O  O38  1  0.69357900  0.47455500  0.88947700  1
  O  O39  1  0.89023900  0.69557900  0.47155200  1
