# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11491500
_cell_length_b   7.04579467
_cell_length_c   8.67596031
_cell_angle_alpha   113.57369674
_cell_angle_beta   90.43398402
_cell_angle_gamma   110.51826478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li4 Ni2 P4 O14'
_cell_volume   264.39039595
_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  0.06528500  0.30174100  0.00852600  1
  Li  Li1  1  0.32241100  0.86060200  0.74905500  1
  Li  Li2  1  0.67758900  0.13939800  0.25094500  1
  Li  Li3  1  0.93471500  0.69825900  0.99147400  1
  Ni  Ni4  1  0.14501600  0.81720800  0.33414000  1
  Ni  Ni5  1  0.85498400  0.18279200  0.66586000  1
  P  P6  1  0.25314300  0.25053800  0.39554700  1
  P  P7  1  0.48046900  0.69330000  0.14090600  1
  P  P8  1  0.51953100  0.30670000  0.85909400  1
  P  P9  1  0.74685700  0.74946200  0.60445300  1
  O  O10  1  0.99787300  0.28042200  0.43369200  1
  O  O11  1  0.43847800  0.13660000  0.55143800  1
  O  O12  1  0.15501000  0.13935700  0.25898700  1
  O  O13  1  0.19942700  0.23131300  0.85273300  1
  O  O14  1  0.30540400  0.62316000  0.98801600  1
  O  O15  1  0.45652600  0.48315000  0.31499900  1
  O  O16  1  0.64915000  0.14950000  0.84697800  1
  O  O17  1  0.35085000  0.85050000  0.15302200  1
  O  O18  1  0.54347400  0.51685000  0.68500100  1
  O  O19  1  0.69459600  0.37684000  0.01198400  1
  O  O20  1  0.80057300  0.76868700  0.14726700  1
  O  O21  1  0.84499000  0.86064300  0.74101300  1
  O  O22  1  0.56152200  0.86340000  0.44856200  1
  O  O23  1  0.00212700  0.71957800  0.56630800  1
