# generated using pymatgen
data_K3Li2Nb6(PO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52016157
_cell_length_b   8.52016157
_cell_length_c   8.52016120
_cell_angle_alpha   103.22671961
_cell_angle_beta   103.22671961
_cell_angle_gamma   103.22672587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Li2Nb6(PO8)3
_chemical_formula_sum   'K3 Li2 Nb6 P3 O24'
_cell_volume   559.73481716
_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
  K  K0  1  0.40315800  0.08842800  0.68833900  1
  K  K1  1  0.08842800  0.68833900  0.40315800  1
  K  K2  1  0.68833900  0.40315800  0.08842800  1
  Li  Li3  1  0.63373900  0.63373900  0.63373900  1
  Li  Li4  1  0.36629800  0.36629800  0.36629800  1
  Nb  Nb5  1  0.65296800  0.84470400  0.97471200  1
  Nb  Nb6  1  0.97471200  0.65296800  0.84470400  1
  Nb  Nb7  1  0.02380900  0.15473400  0.34545500  1
  Nb  Nb8  1  0.84470400  0.97471200  0.65296800  1
  Nb  Nb9  1  0.34545500  0.02380900  0.15473400  1
  Nb  Nb10  1  0.15473400  0.34545500  0.02380900  1
  P  P11  1  0.28441000  0.50005900  0.71780600  1
  P  P12  1  0.71780600  0.28441000  0.50005900  1
  P  P13  1  0.50005900  0.71780600  0.28441000  1
  O  O14  1  0.02558300  0.50036600  0.97590400  1
  O  O15  1  0.15286900  0.84687000  0.00013000  1
  O  O16  1  0.29742100  0.41633400  0.86274900  1
  O  O17  1  0.79170100  0.68397000  0.93035800  1
  O  O18  1  0.00013000  0.15286900  0.84687000  1
  O  O19  1  0.13780800  0.58148300  0.70321200  1
  O  O20  1  0.45343000  0.63651300  0.75087800  1
  O  O21  1  0.25214500  0.36371200  0.54811000  1
  O  O22  1  0.68397000  0.93035800  0.79170100  1
  O  O23  1  0.70321200  0.13780800  0.58148300  1
  O  O24  1  0.75087800  0.45343000  0.63651300  1
  O  O25  1  0.93035800  0.79170100  0.68397000  1
  O  O26  1  0.97590400  0.02558300  0.50036600  1
  O  O27  1  0.20889400  0.07008600  0.31747500  1
  O  O28  1  0.54811000  0.25214500  0.36371200  1
  O  O29  1  0.86274900  0.29742100  0.41633400  1
  O  O30  1  0.07008600  0.31747500  0.20889400  1
  O  O31  1  0.63651300  0.75087800  0.45343000  1
  O  O32  1  0.36371200  0.54811000  0.25214500  1
  O  O33  1  0.41633400  0.86274900  0.29742100  1
  O  O34  1  0.31747500  0.20889400  0.07008600  1
  O  O35  1  0.58148300  0.70321200  0.13780800  1
  O  O36  1  0.84687000  0.00013000  0.15286900  1
  O  O37  1  0.50036600  0.97590400  0.02558300  1
