# generated using pymatgen data_Ni3P4O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44770300 _cell_length_b 10.47360500 _cell_length_c 18.11613800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3P4O15 _chemical_formula_sum 'Ni12 P16 O60' _cell_volume 1223.39537861 _cell_formula_units_Z 4 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 Ni Ni0 1 0.00924700 0.00522400 0.83054800 1.0 Ni Ni1 1 0.49044300 0.50389100 0.13329200 1.0 Ni Ni2 1 0.99044300 0.49610900 0.86670800 1.0 Ni Ni3 1 0.73193000 0.74357600 0.75845900 1.0 Ni Ni4 1 0.49044300 0.99610900 0.63329200 1.0 Ni Ni5 1 0.23193000 0.24357600 0.74154100 1.0 Ni Ni6 1 0.23193000 0.25642400 0.24154100 1.0 Ni Ni7 1 0.50924700 0.50522400 0.66945200 1.0 Ni Ni8 1 0.50924700 0.99477600 0.16945200 1.0 Ni Ni9 1 0.73193000 0.75642400 0.25845900 1.0 Ni Ni10 1 0.00924700 0.49477600 0.33054800 1.0 Ni Ni11 1 0.99044300 0.00389100 0.36670800 1.0 P P12 1 0.49373400 0.01710400 0.31888200 1.0 P P13 1 0.55558500 0.77203800 0.05078000 1.0 P P14 1 0.50558300 0.00232000 0.78715900 1.0 P P15 1 0.00558300 0.99768000 0.21284100 1.0 P P16 1 0.55558500 0.72796200 0.55078000 1.0 P P17 1 0.99373400 0.51710400 0.18111800 1.0 P P18 1 0.05558500 0.27203800 0.44922000 1.0 P P19 1 0.05558500 0.22796200 0.94922000 1.0 P P20 1 0.50558300 0.49768000 0.28715900 1.0 P P21 1 0.49373400 0.48289600 0.81888200 1.0 P P22 1 0.99373400 0.98289600 0.68111800 1.0 P P23 1 0.36297100 0.22826100 0.07293000 1.0 P P24 1 0.86297100 0.72826100 0.42707000 1.0 P P25 1 0.36297100 0.27173900 0.57293000 1.0 P P26 1 0.86297100 0.77173900 0.92707000 1.0 P P27 1 0.00558300 0.50232000 0.71284100 1.0 O O28 1 0.50635100 0.38560800 0.58645200 1.0 O O29 1 0.02342400 0.39962900 0.23484800 1.0 O O30 1 0.26528100 0.19702800 0.99283600 1.0 O O31 1 0.69075300 0.73473900 0.36897200 1.0 O O32 1 0.03733000 0.11364900 0.26718500 1.0 O O33 1 0.68345600 0.45717000 0.86667700 1.0 O O34 1 0.52342400 0.89962900 0.26515200 1.0 O O35 1 0.18345600 0.54283000 0.13332300 1.0 O O36 1 0.46016200 0.12393100 0.25794000 1.0 O O37 1 0.00635100 0.61439200 0.41354800 1.0 O O38 1 0.68345600 0.04283000 0.36667700 1.0 O O39 1 0.52342400 0.60037100 0.76515200 1.0 O O40 1 0.76528100 0.69702800 0.50716400 1.0 O O41 1 0.26528100 0.30297200 0.49283600 1.0 O O42 1 0.30746200 0.50032700 0.86960300 1.0 O O43 1 0.52282200 0.62687700 0.04862100 1.0 O O44 1 0.69534800 0.46636800 0.33452200 1.0 O O45 1 0.19075300 0.26526100 0.63102800 1.0 O O46 1 0.02342400 0.10037100 0.73484800 1.0 O O47 1 0.09070800 0.17654600 0.87160400 1.0 O O48 1 0.00635100 0.88560800 0.91354800 1.0 O O49 1 0.45611000 0.11092900 0.72977000 1.0 O O50 1 0.32202100 0.52420300 0.33819700 1.0 O O51 1 0.76528100 0.80297200 0.00716400 1.0 O O52 1 0.45611000 0.38907100 0.22977000 1.0 O O53 1 0.50635100 0.11439200 0.08645200 1.0 O O54 1 0.02282200 0.37312300 0.95137900 1.0 O O55 1 0.18345600 0.95717000 0.63332300 1.0 O O56 1 0.59070800 0.82345400 0.12839600 1.0 O O57 1 0.36926400 0.67248500 0.50911800 1.0 O O58 1 0.53733000 0.88635100 0.73281500 1.0 O O59 1 0.53733000 0.61364900 0.23281500 1.0 O O60 1 0.95611000 0.61092900 0.77023000 1.0 O O61 1 0.02282200 0.12687700 0.45137900 1.0 O O62 1 0.86926400 0.32751500 0.49088200 1.0 O O63 1 0.97802500 0.64566000 0.93529300 1.0 O O64 1 0.32202100 0.97579700 0.83819700 1.0 O O65 1 0.86926400 0.17248500 0.99088200 1.0 O O66 1 0.19534800 0.96636800 0.16547800 1.0 O O67 1 0.80746200 0.00032700 0.63039700 1.0 O O68 1 0.19075300 0.23473900 0.13102800 1.0 O O69 1 0.82202100 0.47579700 0.66180300 1.0 O O70 1 0.69534800 0.03363200 0.83452200 1.0 O O71 1 0.95611000 0.88907100 0.27023000 1.0 O O72 1 0.97802500 0.85434000 0.43529300 1.0 O O73 1 0.80746200 0.49967300 0.13039700 1.0 O O74 1 0.19534800 0.53363200 0.66547800 1.0 O O75 1 0.96016200 0.87606900 0.74206000 1.0 O O76 1 0.30746200 0.99967300 0.36960300 1.0 O O77 1 0.59070800 0.67654600 0.62839600 1.0 O O78 1 0.09070800 0.32345400 0.37160400 1.0 O O79 1 0.52282200 0.87312300 0.54862100 1.0 O O80 1 0.47802500 0.35434000 0.06470700 1.0 O O81 1 0.47802500 0.14566000 0.56470700 1.0 O O82 1 0.03733000 0.38635100 0.76718500 1.0 O O83 1 0.69075300 0.76526100 0.86897200 1.0 O O84 1 0.36926400 0.82751500 0.00911800 1.0 O O85 1 0.96016200 0.62393100 0.24206000 1.0 O O86 1 0.82202100 0.02420300 0.16180300 1.0 O O87 1 0.46016200 0.37606900 0.75794000 1.0