# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.90801000
_cell_length_b   7.69774000
_cell_length_c   8.19208015
_cell_angle_alpha   87.77339585
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li16 Ni8 P16 O56'
_cell_volume   1128.43548891
_cell_formula_units_Z   8
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  0.54154700  0.30456200  0.00158800  1
  Li  Li1  1  0.29267700  0.83606600  0.01555200  1
  Li  Li2  1  0.78862700  0.65567700  0.07160800  1
  Li  Li3  1  0.09864800  0.31648100  0.11844000  1
  Li  Li4  1  0.55731600  0.84042000  0.16865900  1
  Li  Li5  1  0.36405800  0.58097600  0.24755700  1
  Li  Li6  1  0.94500200  0.90130100  0.27447000  1
  Li  Li7  1  0.18626500  0.23908100  0.49591900  1
  Li  Li8  1  0.68626500  0.76091900  0.50408100  1
  Li  Li9  1  0.44500200  0.09869900  0.72553000  1
  Li  Li10  1  0.86405800  0.41902400  0.75244300  1
  Li  Li11  1  0.05731600  0.15958000  0.83134100  1
  Li  Li12  1  0.59864800  0.68351900  0.88156000  1
  Li  Li13  1  0.28862700  0.34432300  0.92839200  1
  Li  Li14  1  0.79267700  0.16393400  0.98444800  1
  Li  Li15  1  0.04154700  0.69543800  0.99841200  1
  Ni  Ni16  1  0.53941100  0.11072600  0.41028200  1
  Ni  Ni17  1  0.79023700  0.41116100  0.40929200  1
  Ni  Ni18  1  0.29047200  0.90475800  0.40445400  1
  Ni  Ni19  1  0.04351300  0.58713900  0.40227600  1
  Ni  Ni20  1  0.54351300  0.41286100  0.59772400  1
  Ni  Ni21  1  0.79047200  0.09524200  0.59554600  1
  Ni  Ni22  1  0.29023700  0.58883900  0.59070800  1
  Ni  Ni23  1  0.03941100  0.88927400  0.58971800  1
  P  P24  1  0.40770900  0.07131900  0.13349600  1
  P  P25  1  0.92553300  0.44631500  0.13500800  1
  P  P26  1  0.63290800  0.44584700  0.24173000  1
  P  P27  1  0.20173700  0.59256000  0.22286000  1
  P  P28  1  0.69644800  0.08999200  0.24375900  1
  P  P29  1  0.13110700  0.93882400  0.24000600  1
  P  P30  1  0.37389100  0.25417300  0.43634300  1
  P  P31  1  0.95499300  0.24169500  0.43691800  1
  P  P32  1  0.45499300  0.75830500  0.56308200  1
  P  P33  1  0.87389100  0.74582700  0.56365700  1
  P  P34  1  0.63110700  0.06117600  0.75999400  1
  P  P35  1  0.19644800  0.91000800  0.75624100  1
  P  P36  1  0.70173700  0.40744000  0.77714000  1
  P  P37  1  0.13290800  0.55415300  0.75827000  1
  P  P38  1  0.42553300  0.55368500  0.86499200  1
  P  P39  1  0.90770900  0.92868100  0.86650400  1
  O  O40  1  0.40184000  0.13124500  0.95592500  1
  O  O41  1  0.92169900  0.39956700  0.95825700  1
  O  O42  1  0.59531000  0.55356100  0.10387700  1
  O  O43  1  0.24901100  0.51595900  0.09050100  1
  O  O44  1  0.09026000  0.05449400  0.11505600  1
  O  O45  1  0.66168500  0.26961800  0.15543500  1
  O  O46  1  0.73913100  0.99880800  0.11400300  1
  O  O47  1  0.16348000  0.77105500  0.14166800  1
  O  O48  1  0.48953500  0.03806800  0.18799200  1
  O  O49  1  0.84996400  0.50157100  0.20602800  1
  O  O50  1  0.99094200  0.57103100  0.17335700  1
  O  O51  1  0.35227900  0.92561900  0.18433100  1
  O  O52  1  0.38257600  0.23726000  0.23936000  1
  O  O53  1  0.94847500  0.26756500  0.23821700  1
  O  O54  1  0.19462700  0.03568400  0.32360300  1
  O  O55  1  0.13999500  0.46948600  0.29049900  1
  O  O56  1  0.63159000  0.97660500  0.31564300  1
  O  O57  1  0.69740000  0.54587800  0.31986500  1
  O  O58  1  0.57797900  0.36265000  0.36517700  1
  O  O59  1  0.24928100  0.66940400  0.35668900  1
  O  O60  1  0.74489400  0.16933900  0.37494100  1
  O  O61  1  0.07969700  0.83777300  0.36139400  1
  O  O62  1  0.32979200  0.41998700  0.43813000  1
  O  O63  1  0.98219800  0.05746200  0.45225900  1
  O  O64  1  0.51093500  0.63285200  0.49553700  1
  O  O65  1  0.45214900  0.26601900  0.51078300  1
  O  O66  1  0.37670000  0.73586300  0.49166800  1
  O  O67  1  0.33084200  0.10386700  0.51476100  1
  O  O68  1  0.83084200  0.89613300  0.48523900  1
  O  O69  1  0.87670000  0.26413700  0.50833200  1
  O  O70  1  0.95214900  0.73398100  0.48921700  1
  O  O71  1  0.01093500  0.36714800  0.50446300  1
  O  O72  1  0.48219800  0.94253800  0.54774100  1
  O  O73  1  0.82979200  0.58001300  0.56187000  1
  O  O74  1  0.57969700  0.16222700  0.63860600  1
  O  O75  1  0.24489400  0.83066100  0.62505900  1
  O  O76  1  0.74928100  0.33059600  0.64331100  1
  O  O77  1  0.07797900  0.63735000  0.63482300  1
  O  O78  1  0.19740000  0.45412200  0.68013500  1
  O  O79  1  0.13159000  0.02339500  0.68435700  1
  O  O80  1  0.63999500  0.53051400  0.70950100  1
  O  O81  1  0.69462700  0.96431600  0.67639700  1
  O  O82  1  0.44847500  0.73243500  0.76178300  1
  O  O83  1  0.88257600  0.76274000  0.76064000  1
  O  O84  1  0.85227900  0.07438100  0.81566900  1
  O  O85  1  0.49094200  0.42896900  0.82664300  1
  O  O86  1  0.34996400  0.49842900  0.79397200  1
  O  O87  1  0.98953500  0.96193200  0.81200800  1
  O  O88  1  0.66348000  0.22894500  0.85833200  1
  O  O89  1  0.23913100  0.00119200  0.88599700  1
  O  O90  1  0.16168500  0.73038200  0.84456500  1
  O  O91  1  0.59026000  0.94550600  0.88494400  1
  O  O92  1  0.74901100  0.48404100  0.90949900  1
  O  O93  1  0.09531000  0.44643900  0.89612300  1
  O  O94  1  0.42169900  0.60043300  0.04174300  1
  O  O95  1  0.90184000  0.86875500  0.04407500  1
