# generated using pymatgen
data_LiNi5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28140200
_cell_length_b   10.60675877
_cell_length_c   12.81330459
_cell_angle_alpha   85.71156621
_cell_angle_beta   106.42485954
_cell_angle_gamma   115.00158572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi5(P2O7)4
_chemical_formula_sum   'Li2 Ni10 P16 O56'
_cell_volume   1095.10855333
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni2  1  0.10745400  0.72084200  0.11307200  1
  Ni  Ni3  1  0.89431000  0.28238900  0.39470100  1
  Ni  Ni4  1  0.89254600  0.27915800  0.88692800  1
  Ni  Ni5  1  0.10569000  0.71761100  0.60529900  1
  Ni  Ni6  1  0.49946000  0.75866700  0.56476400  1
  Ni  Ni7  1  0.50054000  0.24133300  0.43523600  1
  Ni  Ni8  1  0.49386800  0.75589100  0.06605500  1
  Ni  Ni9  1  0.50613200  0.24410900  0.93394500  1
  Ni  Ni10  1  0.79969800  0.01088300  0.23842100  1
  Ni  Ni11  1  0.20030200  0.98911700  0.76157900  1
  P  P12  1  0.69485700  0.03951900  0.45686500  1
  P  P13  1  0.17327200  0.29380000  0.29258900  1
  P  P14  1  0.54351200  0.19291400  0.69076400  1
  P  P15  1  0.55917800  0.19203000  0.18748900  1
  P  P16  1  0.71029800  0.04865400  0.96538700  1
  P  P17  1  0.82672800  0.70620000  0.70741100  1
  P  P18  1  0.45648800  0.80708600  0.30923600  1
  P  P19  1  0.44082200  0.80797000  0.81251100  1
  P  P20  1  0.28970200  0.95134600  0.03461300  1
  P  P21  1  0.80934900  0.54396500  0.90330900  1
  P  P22  1  0.20534300  0.45756200  0.60102900  1
  P  P23  1  0.19065100  0.45603500  0.09669100  1
  P  P24  1  0.80476000  0.71039800  0.20606600  1
  P  P25  1  0.30514300  0.96048100  0.54313500  1
  P  P26  1  0.79465700  0.54243800  0.39897100  1
  P  P27  1  0.19524000  0.28960200  0.79393400  1
  O  O28  1  0.48927900  0.21836700  0.27270600  1
  O  O29  1  0.72884500  0.18576200  0.23533700  1
  O  O30  1  0.70240500  0.18610300  0.47114100  1
  O  O31  1  0.13344600  0.91394600  0.07111200  1
  O  O32  1  0.07192300  0.32810800  0.53239500  1
  O  O33  1  0.29759500  0.81389700  0.52885900  1
  O  O34  1  0.69230700  0.96505900  0.06722400  1
  O  O35  1  0.68696000  0.95412600  0.55635100  1
  O  O36  1  0.16070100  0.93495300  0.59326200  1
  O  O37  1  0.51887500  0.28611800  0.59790100  1
  O  O38  1  0.71558400  0.59739200  0.28585000  1
  O  O39  1  0.12869000  0.14432400  0.74080900  1
  O  O40  1  0.51072100  0.78163300  0.72729400  1
  O  O41  1  0.29765700  0.80778100  0.03040400  1
  O  O42  1  0.55178800  0.29145300  0.09565000  1
  O  O43  1  0.93994200  0.64276400  0.68797400  1
  O  O44  1  0.56184100  0.82396500  0.22912400  1
  O  O45  1  0.04080300  0.15188700  0.23847200  1
  O  O46  1  0.86655400  0.08605400  0.92888800  1
  O  O47  1  0.27683900  0.77206800  0.25053600  1
  O  O48  1  0.72316100  0.22793200  0.74946400  1
  O  O49  1  0.06005800  0.35723600  0.31202600  1
  O  O50  1  0.92807700  0.67189200  0.46760500  1
  O  O51  1  0.27115500  0.81423800  0.76466300  1
  O  O52  1  0.92932600  0.67200200  0.97762000  1
  O  O53  1  0.66974900  0.68242800  0.09825800  1
  O  O54  1  0.30809600  0.29969800  0.39239700  1
  O  O55  1  0.09813200  0.53487800  0.12151000  1
  O  O56  1  0.33025100  0.31757200  0.90174200  1
  O  O57  1  0.28441600  0.40260800  0.71415000  1
  O  O58  1  0.43815900  0.17603500  0.77087600  1
  O  O59  1  0.52564600  0.96228100  0.36184500  1
  O  O60  1  0.44704400  0.03699900  0.13226000  1
  O  O61  1  0.31304000  0.04587400  0.44364900  1
  O  O62  1  0.48112500  0.71388200  0.40209900  1
  O  O63  1  0.44821200  0.70854700  0.90435000  1
  O  O64  1  0.35022500  0.54427100  0.55603400  1
  O  O65  1  0.65514700  0.45332000  0.93807800  1
  O  O66  1  0.87763700  0.45799200  0.36963600  1
  O  O67  1  0.95919700  0.84811300  0.76152800  1
  O  O68  1  0.69190400  0.70030200  0.60760300  1
  O  O69  1  0.70234300  0.19221900  0.96959600  1
  O  O70  1  0.47435400  0.03771900  0.63815500  1
  O  O71  1  0.90186800  0.46512200  0.87849000  1
  O  O72  1  0.26316100  0.39088000  0.20778900  1
  O  O73  1  0.07067400  0.32799800  0.02238000  1
  O  O74  1  0.94667100  0.67907200  0.19733600  1
  O  O75  1  0.12236300  0.54200800  0.63036400  1
  O  O76  1  0.83929900  0.06504700  0.40673800  1
  O  O77  1  0.30769300  0.03494100  0.93277600  1
  O  O78  1  0.34485300  0.54668000  0.06192200  1
  O  O79  1  0.73683900  0.60912000  0.79221100  1
  O  O80  1  0.87131000  0.85567600  0.25919100  1
  O  O81  1  0.55295600  0.96300100  0.86774000  1
  O  O82  1  0.64977500  0.45572900  0.44396600  1
  O  O83  1  0.05332900  0.32092800  0.80266400  1
