# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12939800
_cell_length_b   6.12989305
_cell_length_c   8.68678268
_cell_angle_alpha   70.65369422
_cell_angle_beta   88.37714468
_cell_angle_gamma   86.76650250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li2 Ni2 P4 O14'
_cell_volume   257.28881497
_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  0.77501600  0.18898800  0.47748700  1
  Li  Li1  1  0.22498400  0.81101200  0.52251300  1
  Ni  Ni2  1  0.76764600  0.55984800  0.73016500  1
  Ni  Ni3  1  0.23235400  0.44015200  0.26983500  1
  P  P4  1  0.78738200  0.20003400  0.13292500  1
  P  P5  1  0.69380200  0.73515100  0.34218700  1
  P  P6  1  0.30619800  0.26484900  0.65781300  1
  P  P7  1  0.21261800  0.79996600  0.86707500  1
  O  O8  1  0.94454000  0.80130700  0.79363000  1
  O  O9  1  0.87701800  0.52883100  0.34193700  1
  O  O10  1  0.76769400  0.82929100  0.47903700  1
  O  O11  1  0.77112800  0.31890300  0.95184300  1
  O  O12  1  0.73473900  0.93109500  0.16617000  1
  O  O13  1  0.59281900  0.32409500  0.64542500  1
  O  O14  1  0.58026700  0.28439700  0.23527700  1
  O  O15  1  0.41973300  0.71560300  0.76472300  1
  O  O16  1  0.40718100  0.67590500  0.35457500  1
  O  O17  1  0.26526100  0.06890500  0.83383000  1
  O  O18  1  0.22887200  0.68109700  0.04815700  1
  O  O19  1  0.23230600  0.17070900  0.52096300  1
  O  O20  1  0.12298200  0.47116900  0.65806300  1
  O  O21  1  0.05546000  0.19869300  0.20637000  1
