# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03024523
_cell_length_b   12.51570104
_cell_length_c   8.10956928
_cell_angle_alpha   92.00996589
_cell_angle_beta   64.38837562
_cell_angle_gamma   106.47643970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   613.84772177
_cell_formula_units_Z   4
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  0.38513000  0.61513400  0.84441200  1
  Li  Li1  1  0.88500800  0.11494000  0.34453400  1
  Li  Li2  1  0.11574300  0.38556300  0.15460900  1
  Li  Li3  1  0.61565100  0.88527700  0.65450300  1
  Li  Li4  1  0.88433300  0.61462700  0.84546500  1
  Li  Li5  1  0.38455600  0.11482500  0.34529500  1
  Li  Li6  1  0.11510600  0.88512700  0.65531500  1
  Li  Li7  1  0.61492300  0.38490800  0.15524200  1
  Ni  Ni8  1  0.50013900  0.49979400  0.49999400  1
  Ni  Ni9  1  0.50005000  0.00013200  0.99998400  1
  Ni  Ni10  1  0.99984800  0.99985000  0.00010700  1
  Ni  Ni11  1  0.99994000  0.50000900  0.50029300  1
  P  P12  1  0.14582700  0.28617700  0.49446900  1
  P  P13  1  0.64590100  0.78608800  0.99420700  1
  P  P14  1  0.96573800  0.60451500  0.17483800  1
  P  P15  1  0.46546400  0.10454600  0.67485700  1
  P  P16  1  0.03437300  0.39553200  0.82533000  1
  P  P17  1  0.53455800  0.89538700  0.32502500  1
  P  P18  1  0.85412100  0.71385900  0.50556500  1
  P  P19  1  0.35387500  0.21380300  0.00563200  1
  O  O20  1  0.03197200  0.28305400  0.71769700  1
  O  O21  1  0.53265400  0.78285600  0.21741500  1
  O  O22  1  0.96799700  0.71701900  0.28231800  1
  O  O23  1  0.46780000  0.21701600  0.78236200  1
  O  O24  1  0.08586300  0.64101900  0.97103100  1
  O  O25  1  0.58607700  0.14105900  0.47103700  1
  O  O26  1  0.10943600  0.16689000  0.44583000  1
  O  O27  1  0.60972000  0.66679400  0.94562300  1
  O  O28  1  0.91423800  0.35895800  0.02911800  1
  O  O29  1  0.41383600  0.85894100  0.52888400  1
  O  O30  1  0.89056700  0.83316500  0.55418000  1
  O  O31  1  0.38932700  0.33304800  0.05426600  1
  O  O32  1  0.28099000  0.46255000  0.76145700  1
  O  O33  1  0.78086100  0.96249500  0.26193400  1
  O  O34  1  0.10589700  0.14843300  0.07299000  1
  O  O35  1  0.60616800  0.64880900  0.57285000  1
  O  O36  1  0.03397800  0.35265200  0.42545100  1
  O  O37  1  0.53338000  0.85211800  0.92547900  1
  O  O38  1  0.08201100  0.53849400  0.23905800  1
  O  O39  1  0.58147500  0.03841300  0.73945500  1
  O  O40  1  0.91787800  0.46163300  0.76153500  1
  O  O41  1  0.41862100  0.96158700  0.26045200  1
  O  O42  1  0.96624900  0.64756200  0.57459400  1
  O  O43  1  0.46658300  0.14796500  0.07451600  1
  O  O44  1  0.71913700  0.53735500  0.23858400  1
  O  O45  1  0.21911400  0.03749200  0.73820800  1
  O  O46  1  0.89400200  0.85139500  0.92692600  1
  O  O47  1  0.39388500  0.35113700  0.42707400  1
