# generated using pymatgen
data_Li2Ni3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98092607
_cell_length_b   8.72308289
_cell_length_c   9.52644765
_cell_angle_alpha   74.26548284
_cell_angle_beta   94.60382998
_cell_angle_gamma   67.33101905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ni3(P2O7)2
_chemical_formula_sum   'Li4 Ni6 P8 O28'
_cell_volume   503.96682146
_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  0.00510800  0.00989600  0.67834900  1
  Li  Li1  1  0.00502800  0.50990500  0.17842500  1
  Li  Li2  1  0.99501500  0.49000700  0.82168100  1
  Li  Li3  1  0.99499200  0.98994000  0.32157400  1
  Ni  Ni4  1  0.99971300  0.50022000  0.49997600  1
  Ni  Ni5  1  0.48754200  0.32807700  0.99829300  1
  Ni  Ni6  1  0.51241500  0.67202900  0.00163300  1
  Ni  Ni7  1  0.00013900  0.99986400  0.99989200  1
  Ni  Ni8  1  0.48760400  0.82825900  0.49828300  1
  Ni  Ni9  1  0.51265600  0.17202600  0.50187900  1
  P  P10  1  0.71993900  0.85647600  0.79638600  1
  P  P11  1  0.71995600  0.35647800  0.29637700  1
  P  P12  1  0.28007800  0.64350100  0.70360700  1
  P  P13  1  0.28003400  0.14352500  0.20361600  1
  P  P14  1  0.29641200  0.15122200  0.78669700  1
  P  P15  1  0.29642100  0.65121400  0.28672000  1
  P  P16  1  0.70358300  0.34877600  0.71333800  1
  P  P17  1  0.70350300  0.84875900  0.21328200  1
  O  O18  1  0.26747900  0.23504800  0.61611900  1
  O  O19  1  0.26749500  0.73503600  0.11612200  1
  O  O20  1  0.73251400  0.26492200  0.88390500  1
  O  O21  1  0.73248500  0.76494900  0.38388300  1
  O  O22  1  0.65506300  0.91343000  0.62424900  1
  O  O23  1  0.65505300  0.41339000  0.12424300  1
  O  O24  1  0.34496100  0.58659000  0.87574800  1
  O  O25  1  0.34494100  0.08666500  0.37574000  1
  O  O26  1  0.28871400  0.77979900  0.36888800  1
  O  O27  1  0.28862900  0.27981400  0.86885400  1
  O  O28  1  0.71127500  0.72016500  0.13110900  1
  O  O29  1  0.71142700  0.22014300  0.63118200  1
  O  O30  1  0.91559000  0.87855900  0.84954600  1
  O  O31  1  0.91554900  0.37861300  0.34956800  1
  O  O32  1  0.08443900  0.62143000  0.65045000  1
  O  O33  1  0.08444600  0.12137400  0.15043200  1
  O  O34  1  0.52901800  0.98917700  0.84976200  1
  O  O35  1  0.52902300  0.48915800  0.34977100  1
  O  O36  1  0.47097400  0.51079200  0.65023200  1
  O  O37  1  0.47095200  0.01082000  0.15022600  1
  O  O38  1  0.26807000  0.82862600  0.63377900  1
  O  O39  1  0.26804200  0.32863500  0.13375900  1
  O  O40  1  0.73194200  0.67136700  0.86620800  1
  O  O41  1  0.73195800  0.17136400  0.36622100  1
  O  O42  1  0.85226200  0.43673700  0.67110700  1
  O  O43  1  0.85219200  0.93667800  0.17098600  1
  O  O44  1  0.14768500  0.06326300  0.82894300  1
  O  O45  1  0.14768400  0.56328100  0.32895900  1
