# generated using pymatgen
data_Li2Ni3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26579100
_cell_length_b   6.38359600
_cell_length_c   13.10421823
_cell_angle_alpha   85.31540326
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ni3(P2O7)2
_chemical_formula_sum   'Li4 Ni6 P8 O28'
_cell_volume   605.76777999
_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  0.69094300  0.53784400  0.97104700  1
  Li  Li1  1  0.75496100  0.06849100  0.60033400  1
  Li  Li2  1  0.25496100  0.93150900  0.39966600  1
  Li  Li3  1  0.19094300  0.46215600  0.02895300  1
  Ni  Ni4  1  0.98856600  0.81468900  0.90233500  1
  Ni  Ni5  1  0.38809000  0.27696800  0.72488800  1
  Ni  Ni6  1  0.89203600  0.57841500  0.60145000  1
  Ni  Ni7  1  0.39203600  0.42158500  0.39855000  1
  Ni  Ni8  1  0.88809000  0.72303200  0.27511200  1
  Ni  Ni9  1  0.48856600  0.18531100  0.09766500  1
  P  P10  1  0.68951400  0.08196300  0.88583000  1
  P  P11  1  0.01488000  0.35439100  0.83192400  1
  P  P12  1  0.20488400  0.85919100  0.69349200  1
  P  P13  1  0.48650500  0.62899200  0.57904000  1
  P  P14  1  0.98650500  0.37100800  0.42096000  1
  P  P15  1  0.70488400  0.14080900  0.30650800  1
  P  P16  1  0.51488000  0.64560900  0.16807600  1
  P  P17  1  0.18951400  0.91803700  0.11417000  1
  O  O18  1  0.61616600  0.22737700  0.96336800  1
  O  O19  1  0.70594500  0.84779600  0.92132100  1
  O  O20  1  0.91628400  0.13165300  0.87583700  1
  O  O21  1  0.94604800  0.50470900  0.91036200  1
  O  O22  1  0.22152200  0.31948300  0.84159600  1
  O  O23  1  0.61156900  0.13181900  0.77912100  1
  O  O24  1  0.19544700  0.83915800  0.80921400  1
  O  O25  1  0.94330700  0.39548900  0.72385400  1
  O  O26  1  0.34273800  0.66095400  0.67135500  1
  O  O27  1  0.52014200  0.39081400  0.59515500  1
  O  O28  1  0.30049100  0.05505900  0.64557300  1
  O  O29  1  0.66256300  0.75697900  0.59406900  1
  O  O30  1  0.02185800  0.82795900  0.63797900  1
  O  O31  1  0.38910300  0.68668100  0.47650700  1
  O  O32  1  0.88910300  0.31331900  0.52349300  1
  O  O33  1  0.52185800  0.17204100  0.36202100  1
  O  O34  1  0.16256300  0.24302100  0.40593100  1
  O  O35  1  0.80049100  0.94494100  0.35442700  1
  O  O36  1  0.02014200  0.60918600  0.40484500  1
  O  O37  1  0.84273800  0.33904600  0.32864500  1
  O  O38  1  0.44330700  0.60451100  0.27614600  1
  O  O39  1  0.69544700  0.16084200  0.19078600  1
  O  O40  1  0.11156900  0.86818100  0.22087900  1
  O  O41  1  0.72152200  0.68051700  0.15840400  1
  O  O42  1  0.44604800  0.49529100  0.08963800  1
  O  O43  1  0.41628400  0.86834700  0.12416300  1
  O  O44  1  0.20594500  0.15220400  0.07867900  1
  O  O45  1  0.11616600  0.77262300  0.03663200  1
