# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18213600
_cell_length_b   6.42720380
_cell_length_c   8.86761884
_cell_angle_alpha   109.96761786
_cell_angle_beta   95.67540580
_cell_angle_gamma   106.01231176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li4 Ni2 P4 O14'
_cell_volume   260.66006247
_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  0.09318100  0.73085300  0.01837400  1
  Li  Li1  1  0.58894800  0.44542500  0.74260900  1
  Li  Li2  1  0.41105200  0.55457500  0.25739100  1
  Li  Li3  1  0.90681900  0.26914700  0.98162600  1
  Ni  Ni4  1  0.73789300  0.23777200  0.36333200  1
  Ni  Ni5  1  0.26210700  0.76222800  0.63666800  1
  P  P6  1  0.84850100  0.76033000  0.39229600  1
  P  P7  1  0.69654500  0.80697200  0.87967100  1
  P  P8  1  0.30345500  0.19302800  0.12032900  1
  P  P9  1  0.15150000  0.23967000  0.60770400  1
  O  O10  1  0.73151900  0.56042200  0.33333500  1
  O  O11  1  0.63762700  0.88911400  0.42235400  1
  O  O12  1  0.43405400  0.72867400  0.83210300  1
  O  O13  1  0.10104900  0.32889400  0.15488100  1
  O  O14  1  0.37412500  0.18851000  0.94546300  1
  O  O15  1  0.05792200  0.30552200  0.46446900  1
  O  O16  1  0.87327300  0.07453200  0.76898600  1
  O  O17  1  0.12672700  0.92546800  0.23101400  1
  O  O18  1  0.94207800  0.69447800  0.53553100  1
  O  O19  1  0.62587500  0.81149000  0.05453700  1
  O  O20  1  0.89895100  0.67110600  0.84511900  1
  O  O21  1  0.56594600  0.27132600  0.16789700  1
  O  O22  1  0.36237300  0.11088600  0.57764600  1
  O  O23  1  0.26848100  0.43957800  0.66666500  1
