# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03263800
_cell_length_b   6.82675424
_cell_length_c   8.39176230
_cell_angle_alpha   67.61026937
_cell_angle_beta   87.89629894
_cell_angle_gamma   87.74422222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li2 Ni2 P4 O14'
_cell_volume   266.29749151
_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  0.27601500  0.82416900  0.00330300  1
  Li  Li1  1  0.78271000  0.17385800  0.43920200  1
  Ni  Ni2  1  0.24359400  0.21495300  0.72045300  1
  Ni  Ni3  1  0.75716000  0.78065000  0.27009200  1
  P  P4  1  0.76546200  0.88753100  0.83007600  1
  P  P5  1  0.71607200  0.55061100  0.68789100  1
  P  P6  1  0.23753000  0.12396000  0.16961400  1
  P  P7  1  0.28099300  0.45373700  0.30927400  1
  O  O8  1  0.28302200  0.36090600  0.15458300  1
  O  O9  1  0.89154700  0.35025600  0.76076800  1
  O  O10  1  0.06418400  0.92253800  0.79658800  1
  O  O11  1  0.12355200  0.66239500  0.22632600  1
  O  O12  1  0.14570600  0.28914300  0.46705000  1
  O  O13  1  0.95472500  0.06519300  0.24364800  1
  O  O14  1  0.27200600  0.12515200  0.98827600  1
  O  O15  1  0.43066400  0.48729100  0.67876800  1
  O  O16  1  0.44495100  0.97891500  0.29154200  1
  O  O17  1  0.82152300  0.71645600  0.52121300  1
  O  O18  1  0.59739600  0.05192800  0.68888200  1
  O  O19  1  0.66724100  0.85880000  0.01224000  1
  O  O20  1  0.71025100  0.65390300  0.83140200  1
  O  O21  1  0.57430300  0.48381000  0.33432300  1
