# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33818400
_cell_length_b   4.90401200
_cell_length_c   7.16197969
_cell_angle_alpha   70.01473025
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li2 Ni2 P4 O14'
_cell_volume   275.22160466
_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  0.85437500  0.82344400  0.65784700  1
  Li  Li1  1  0.35437500  0.17655600  0.34215300  1
  Ni  Ni2  1  0.00162100  0.22063200  0.27864100  1
  Ni  Ni3  1  0.50162100  0.77936800  0.72135900  1
  P  P4  1  0.67905300  0.40008000  0.47419800  1
  P  P5  1  0.28146500  0.20921000  0.92135700  1
  P  P6  1  0.78146500  0.79079000  0.07864300  1
  P  P7  1  0.17905300  0.59992000  0.52580200  1
  O  O8  1  0.15440700  0.39327100  0.75837900  1
  O  O9  1  0.17982600  0.40473600  0.39962300  1
  O  O10  1  0.03609300  0.80732400  0.48845700  1
  O  O11  1  0.19797200  0.14073700  0.12103600  1
  O  O12  1  0.53609300  0.19267600  0.51154300  1
  O  O13  1  0.33894300  0.75729300  0.51396200  1
  O  O14  1  0.69797200  0.85926300  0.87896400  1
  O  O15  1  0.93414000  0.61033000  0.07789400  1
  O  O16  1  0.83690400  0.05383500  0.12796800  1
  O  O17  1  0.83894300  0.24270700  0.48603800  1
  O  O18  1  0.33690400  0.94616500  0.87203200  1
  O  O19  1  0.67982600  0.59526400  0.60037700  1
  O  O20  1  0.65440700  0.60672900  0.24162100  1
  O  O21  1  0.43414000  0.38967000  0.92210600  1
