# generated using pymatgen
data_Li2Ni3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87500800
_cell_length_b   7.28503800
_cell_length_c   9.44227130
_cell_angle_alpha   69.87247829
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ni3(P2O7)2
_chemical_formula_sum   'Li4 Ni6 P8 O28'
_cell_volume   508.61842022
_cell_formula_units_Z   2
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  0.41626700  0.70749500  0.86419700  1
  Li  Li1  1  0.08373300  0.70749500  0.36419700  1
  Li  Li2  1  0.91626700  0.29250500  0.63580300  1
  Li  Li3  1  0.58373300  0.29250500  0.13580300  1
  Ni  Ni4  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni5  1  0.37439800  0.81169300  0.51918300  1
  Ni  Ni6  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.12560200  0.81169300  0.01918300  1
  Ni  Ni8  1  0.87439800  0.18830700  0.98081700  1
  Ni  Ni9  1  0.62560200  0.18830700  0.48081700  1
  P  P10  1  0.20564700  0.11649900  0.19372700  1
  P  P11  1  0.29435300  0.11649900  0.69372700  1
  P  P12  1  0.95083100  0.40415600  0.21684100  1
  P  P13  1  0.45083100  0.59584400  0.28315900  1
  P  P14  1  0.54916900  0.40415600  0.71684100  1
  P  P15  1  0.04916900  0.59584400  0.78315900  1
  P  P16  1  0.79435300  0.88350100  0.80627300  1
  P  P17  1  0.70564700  0.88350100  0.30627300  1
  O  O18  1  0.70518900  0.01190300  0.13710500  1
  O  O19  1  0.07851300  0.03367700  0.10734300  1
  O  O20  1  0.37772500  0.15086600  0.11798700  1
  O  O21  1  0.79481100  0.01190300  0.63710500  1
  O  O22  1  0.42148700  0.03367700  0.60734300  1
  O  O23  1  0.13637400  0.32269500  0.19146100  1
  O  O24  1  0.29481100  0.98809700  0.86289500  1
  O  O25  1  0.92148700  0.96632300  0.89265700  1
  O  O26  1  0.62227500  0.84913400  0.88201300  1
  O  O27  1  0.20518900  0.98809700  0.36289500  1
  O  O28  1  0.57851300  0.96632300  0.39265700  1
  O  O29  1  0.86362600  0.67730500  0.80853900  1
  O  O30  1  0.16833000  0.62141700  0.90286200  1
  O  O31  1  0.87772500  0.84913400  0.38201300  1
  O  O32  1  0.11028100  0.72107600  0.62228600  1
  O  O33  1  0.50607200  0.61521100  0.70009100  1
  O  O34  1  0.63637400  0.67730500  0.30853900  1
  O  O35  1  0.33167000  0.62141700  0.40286200  1
  O  O36  1  0.38971900  0.72107600  0.12228600  1
  O  O37  1  0.00607200  0.38478900  0.79990900  1
  O  O38  1  0.99392800  0.61521100  0.20009100  1
  O  O39  1  0.61028100  0.27892400  0.87771400  1
  O  O40  1  0.66833000  0.37858300  0.59713800  1
  O  O41  1  0.36362600  0.32269500  0.69146100  1
  O  O42  1  0.49392800  0.38478900  0.29990900  1
  O  O43  1  0.88971900  0.27892400  0.37771400  1
  O  O44  1  0.12227500  0.15086600  0.61798700  1
  O  O45  1  0.83167000  0.37858300  0.09713800  1
