# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75138538
_cell_length_b   7.75138538
_cell_length_c   7.90129899
_cell_angle_alpha   64.31874646
_cell_angle_beta   64.31874646
_cell_angle_gamma   42.16086359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li4 Ni2 P4 O14'
_cell_volume   282.19971802
_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  0.93527400  0.62794200  0.80574600  1
  Li  Li1  1  0.37205800  0.06472600  0.69425400  1
  Li  Li2  1  0.62794200  0.93527400  0.30574600  1
  Li  Li3  1  0.06472600  0.37205800  0.19425400  1
  Ni  Ni4  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  P  P6  1  0.53130600  0.24536500  0.85793400  1
  P  P7  1  0.24536500  0.53130600  0.35793400  1
  P  P8  1  0.75463500  0.46869400  0.64206600  1
  P  P9  1  0.46869400  0.75463500  0.14206600  1
  O  O10  1  0.70699100  0.05965200  0.71368700  1
  O  O11  1  0.25840200  0.35196400  0.91983000  1
  O  O12  1  0.11660600  0.66497100  0.52811000  1
  O  O13  1  0.05965200  0.70699100  0.21368700  1
  O  O14  1  0.35196400  0.25840200  0.41983000  1
  O  O15  1  0.66497100  0.11660600  0.02811000  1
  O  O16  1  0.33502900  0.88339400  0.97189000  1
  O  O17  1  0.64803600  0.74159800  0.58017000  1
  O  O18  1  0.94034800  0.29300900  0.78631300  1
  O  O19  1  0.88339400  0.33502900  0.47189000  1
  O  O20  1  0.74159800  0.64803600  0.08017000  1
  O  O21  1  0.29300900  0.94034800  0.28631300  1
  O  O22  1  0.50312000  0.49688000  0.75000000  1
  O  O23  1  0.49688000  0.50312000  0.25000000  1
