# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47031700
_cell_length_b   9.26768351
_cell_length_c   10.46085266
_cell_angle_alpha   114.61971748
_cell_angle_beta   86.05692498
_cell_angle_gamma   106.76383752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li4 Ni4 P8 O28'
_cell_volume   545.07139176
_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  0.03389200  0.16521900  0.47627300  1
  Li  Li1  1  0.94092400  0.92991900  0.94575100  1
  Li  Li2  1  0.34795900  0.93646400  0.40326000  1
  Li  Li3  1  0.54103300  0.50009700  0.97953800  1
  Ni  Ni4  1  0.63275200  0.48687200  0.25091300  1
  Ni  Ni5  1  0.37008200  0.50306100  0.74176000  1
  Ni  Ni6  1  0.71242000  0.09799700  0.21779200  1
  Ni  Ni7  1  0.28850900  0.89171200  0.76888500  1
  P  P8  1  0.87977800  0.54514100  0.70405800  1
  P  P9  1  0.57793600  0.30054000  0.45955800  1
  P  P10  1  0.42008200  0.68966600  0.53093700  1
  P  P11  1  0.09048800  0.19253200  0.79391000  1
  P  P12  1  0.11427700  0.43282100  0.29653400  1
  P  P13  1  0.69963100  0.18920800  0.94960300  1
  P  P14  1  0.30242800  0.80387800  0.04263800  1
  P  P15  1  0.91871400  0.80857100  0.19814900  1
  O  O16  1  0.37395900  0.32103300  0.53863900  1
  O  O17  1  0.99041300  0.12229000  0.64510900  1
  O  O18  1  0.95634400  0.51060300  0.26574000  1
  O  O19  1  0.77893800  0.45657200  0.54230100  1
  O  O20  1  0.30212300  0.33008400  0.82113800  1
  O  O21  1  0.07302100  0.71190400  0.08600400  1
  O  O22  1  0.57026800  0.29583800  0.30898500  1
  O  O23  1  0.30935600  0.45089000  0.20677900  1
  O  O24  1  0.04615400  0.45846100  0.70767000  1
  O  O25  1  0.92864000  0.27811700  0.90516300  1
  O  O26  1  0.40164500  0.66803800  0.95020100  1
  O  O27  1  0.25468400  0.90293700  0.96712200  1
  O  O28  1  0.74464900  0.08738200  0.02280700  1
  O  O29  1  0.36530500  0.84747500  0.54981000  1
  O  O30  1  0.56223900  0.07428700  0.81325100  1
  O  O31  1  0.98182600  0.72793800  0.73605600  1
  O  O32  1  0.20596400  0.53843600  0.45863900  1
  O  O33  1  0.68599800  0.51880000  0.79245000  1
  O  O34  1  0.71019900  0.67123600  0.18626700  1
  O  O35  1  0.86462800  0.91740300  0.13445200  1
  O  O36  1  0.04068200  0.91340300  0.34104500  1
  O  O37  1  0.61005700  0.33195800  0.04238000  1
  O  O38  1  0.61344600  0.65274900  0.44687500  1
  O  O39  1  0.01033200  0.25934200  0.29056400  1
  O  O40  1  0.43062300  0.91906800  0.18377700  1
  O  O41  1  0.43421900  0.69838600  0.68243700  1
  O  O42  1  0.11152700  0.05412900  0.83175200  1
  O  O43  1  0.63431300  0.13965900  0.43290300  1
