# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42014420
_cell_length_b   8.52292819
_cell_length_c   8.52099408
_cell_angle_alpha   72.38691543
_cell_angle_beta   111.06332677
_cell_angle_gamma   109.86470310
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   525.22200965
_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  0.00250800  0.43649400  0.72592600  1
  Li  Li1  1  0.00250800  0.93649400  0.22592600  1
  Li  Li2  1  0.99749200  0.06350600  0.77407400  1
  Li  Li3  1  0.99749200  0.56350600  0.27407400  1
  Li  Li4  1  0.56629100  0.80868900  0.57126900  1
  Li  Li5  1  0.56629100  0.30868900  0.07126900  1
  Li  Li6  1  0.43370900  0.69131100  0.92873100  1
  Li  Li7  1  0.43370900  0.19131100  0.42873100  1
  Ni  Ni8  1  0.72073300  0.08958600  0.86228300  1
  Ni  Ni9  1  0.27926700  0.41041400  0.63771700  1
  Ni  Ni10  1  0.72073300  0.58958600  0.36228300  1
  Ni  Ni11  1  0.27926700  0.91041400  0.13771700  1
  P  P12  1  0.82351000  0.23708100  0.46491800  1
  P  P13  1  0.82351000  0.73708100  0.96491800  1
  P  P14  1  0.17649000  0.26291900  0.03508200  1
  P  P15  1  0.17649000  0.76291900  0.53508200  1
  P  P16  1  0.30759100  0.52305700  0.24068800  1
  P  P17  1  0.30759100  0.02305700  0.74068800  1
  P  P18  1  0.69240900  0.97694300  0.25931200  1
  P  P19  1  0.69240900  0.47694300  0.75931200  1
  O  O20  1  0.84639000  0.10299200  0.38057100  1
  O  O21  1  0.84639000  0.60299200  0.88057100  1
  O  O22  1  0.15361000  0.39700800  0.11942900  1
  O  O23  1  0.15361000  0.89700800  0.61942900  1
  O  O24  1  0.33568500  0.69819900  0.11968800  1
  O  O25  1  0.33568500  0.19819900  0.61968800  1
  O  O26  1  0.66431500  0.80180100  0.38031200  1
  O  O27  1  0.66431500  0.30180100  0.88031200  1
  O  O28  1  0.22346100  0.51240800  0.37655500  1
  O  O29  1  0.22346100  0.01240800  0.87655500  1
  O  O30  1  0.77653900  0.98759200  0.12344500  1
  O  O31  1  0.77653900  0.48759200  0.62344500  1
  O  O32  1  0.53295900  0.05241700  0.18940700  1
  O  O33  1  0.53295900  0.55241700  0.68940700  1
  O  O34  1  0.46704100  0.44758300  0.31059300  1
  O  O35  1  0.46704100  0.94758300  0.81059300  1
  O  O36  1  0.78188500  0.88812300  0.81612200  1
  O  O37  1  0.78188500  0.38812300  0.31612200  1
  O  O38  1  0.21811500  0.61187700  0.68387800  1
  O  O39  1  0.21811500  0.11187700  0.18387800  1
  O  O40  1  0.00718300  0.78411900  0.09198000  1
  O  O41  1  0.00718300  0.28411900  0.59198000  1
  O  O42  1  0.99281700  0.71588100  0.40802000  1
  O  O43  1  0.99281700  0.21588100  0.90802000  1
  O  O44  1  0.67923100  0.64838000  0.05576700  1
  O  O45  1  0.67923100  0.14838000  0.55576700  1
  O  O46  1  0.32076900  0.85162000  0.44423300  1
  O  O47  1  0.32076900  0.35162000  0.94423300  1
