# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31405388
_cell_length_b   6.31405388
_cell_length_c   13.60030024
_cell_angle_alpha   76.97936041
_cell_angle_beta   76.97936041
_cell_angle_gamma   80.85522965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li4 Ni4 P8 O28'
_cell_volume   511.33138453
_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  0.21892700  0.22126200  0.66680800  1
  Li  Li1  1  0.77873800  0.78107300  0.83319200  1
  Li  Li2  1  0.22126200  0.21892700  0.16680800  1
  Li  Li3  1  0.78107300  0.77873800  0.33319200  1
  Ni  Ni4  1  0.41575100  0.14089900  0.35790900  1
  Ni  Ni5  1  0.14089900  0.41575100  0.85790900  1
  Ni  Ni6  1  0.85910100  0.58424900  0.14209100  1
  Ni  Ni7  1  0.58424900  0.85910100  0.64209100  1
  P  P8  1  0.26047700  0.87320200  0.86552500  1
  P  P9  1  0.35259800  0.73351500  0.08575700  1
  P  P10  1  0.26648500  0.64740200  0.41424300  1
  P  P11  1  0.87320200  0.26047700  0.36552500  1
  P  P12  1  0.12679800  0.73952300  0.63447500  1
  P  P13  1  0.73351500  0.35259800  0.58575700  1
  P  P14  1  0.64740200  0.26648500  0.91424300  1
  P  P15  1  0.73952300  0.12679800  0.13447500  1
  O  O16  1  0.08051500  0.72223900  0.88450400  1
  O  O17  1  0.19192700  0.56101100  0.11961600  1
  O  O18  1  0.27776100  0.91948500  0.61549600  1
  O  O19  1  0.47305400  0.79562100  0.79640700  1
  O  O20  1  0.09711400  0.69820800  0.34479600  1
  O  O21  1  0.17601700  0.11080800  0.82699900  1
  O  O22  1  0.32285900  0.87068900  0.97382500  1
  O  O23  1  0.36644300  0.40845700  0.42195000  1
  O  O24  1  0.59154300  0.63355700  0.07805000  1
  O  O25  1  0.30179200  0.90288600  0.15520400  1
  O  O26  1  0.12931100  0.67714100  0.52617500  1
  O  O27  1  0.56101100  0.19192700  0.61961600  1
  O  O28  1  0.88919200  0.82398300  0.67300100  1
  O  O29  1  0.20437900  0.52694600  0.70359300  1
  O  O30  1  0.79562100  0.47305400  0.29640700  1
  O  O31  1  0.11080800  0.17601700  0.32699900  1
  O  O32  1  0.43898900  0.80807300  0.38038400  1
  O  O33  1  0.87068900  0.32285900  0.47382500  1
  O  O34  1  0.69820800  0.09711400  0.84479600  1
  O  O35  1  0.40845700  0.36644300  0.92195000  1
  O  O36  1  0.63355700  0.59154300  0.57805000  1
  O  O37  1  0.67714100  0.12931100  0.02617500  1
  O  O38  1  0.82398300  0.88919200  0.17300100  1
  O  O39  1  0.90288600  0.30179200  0.65520400  1
  O  O40  1  0.52694600  0.20437900  0.20359300  1
  O  O41  1  0.72223900  0.08051500  0.38450400  1
  O  O42  1  0.80807300  0.43898900  0.88038400  1
  O  O43  1  0.91948500  0.27776100  0.11549600  1
