# generated using pymatgen data_Na6CuP4(H13O15)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78151200 _cell_length_b 9.20849199 _cell_length_c 13.78394614 _cell_angle_alpha 85.99720460 _cell_angle_beta 86.12217346 _cell_angle_gamma 65.71810826 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6CuP4(H13O15)2 _chemical_formula_sum 'Na6 Cu1 P4 H26 O30' _cell_volume 897.30413502 _cell_formula_units_Z 1 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 Na Na0 1 0.51629600 0.37111400 0.89345200 1.0 Na Na1 1 0.48370400 0.62888600 0.10654800 1.0 Na Na2 1 0.45757700 0.13528800 0.73179100 1.0 Na Na3 1 0.54242300 0.86471200 0.26820900 1.0 Na Na4 1 0.25415300 0.47462700 0.49801000 1.0 Na Na5 1 0.74584700 0.52537300 0.50199000 1.0 Cu Cu6 1 0.00000000 0.00000000 0.00000000 1.0 P P7 1 0.04917000 0.75724400 0.84860100 1.0 P P8 1 0.95083000 0.24275600 0.15139900 1.0 P P9 1 0.93944800 0.09113000 0.76293100 1.0 P P10 1 0.06055200 0.90887000 0.23706900 1.0 H H11 1 0.29407900 0.13862500 0.00831600 1.0 H H12 1 0.70592100 0.86137500 0.99168400 1.0 H H13 1 0.76063300 0.54989100 0.90654200 1.0 H H14 1 0.23936700 0.45010900 0.09345800 1.0 H H15 1 0.11068600 0.15184900 0.86411400 1.0 H H16 1 0.88931400 0.84815100 0.13588600 1.0 H H17 1 0.17536400 0.43277200 0.81777800 1.0 H H18 1 0.82463600 0.56722800 0.18222200 1.0 H H19 1 0.31641700 0.63237000 0.69274500 1.0 H H20 1 0.68358300 0.36763000 0.30725500 1.0 H H21 1 0.62616800 0.36394400 0.64246700 1.0 H H22 1 0.37383200 0.63605600 0.35753300 1.0 H H23 1 0.05513400 0.31430300 0.59651900 1.0 H H24 1 0.94486600 0.68569700 0.40348100 1.0 H H25 1 0.74328800 0.73318000 0.77323300 1.0 H H26 1 0.25671200 0.26682000 0.22676700 1.0 H H27 1 0.67384400 0.79356000 0.74046200 1.0 H H28 1 0.32615600 0.20644000 0.25953800 1.0 H H29 1 0.43242700 0.79696700 0.71450400 1.0 H H30 1 0.56757300 0.20303300 0.28549600 1.0 H H31 1 0.72645500 0.02649600 0.30393600 1.0 H H32 1 0.27354500 0.97350400 0.69606400 1.0 H H33 1 0.73239800 0.24638500 0.56016700 1.0 H H34 1 0.26760200 0.75361500 0.43983300 1.0 H H35 1 0.38739400 0.10679500 0.98039000 1.0 H H36 1 0.61260600 0.89320500 0.01961000 1.0 O O37 1 0.01385700 0.89597800 0.76480700 1.0 O O38 1 0.98614300 0.10402200 0.23519300 1.0 O O39 1 0.96089700 0.83413900 0.94364100 1.0 O O40 1 0.03910300 0.16586100 0.05635900 1.0 O O41 1 0.00862600 0.62716600 0.81379100 1.0 O O42 1 0.99137400 0.37283400 0.18620900 1.0 O O43 1 0.28584600 0.66859400 0.86654500 1.0 O O44 1 0.71415400 0.33140600 0.13345500 1.0 O O45 1 0.00281600 0.12106600 0.86947700 1.0 O O46 1 0.99718400 0.87893400 0.13052300 1.0 O O47 1 0.72742600 0.16797700 0.76666500 1.0 O O48 1 0.27257400 0.83202300 0.23333500 1.0 O O49 1 0.05449700 0.13411700 0.68513100 1.0 O O50 1 0.94550300 0.86588300 0.31486900 1.0 O O51 1 0.54306400 0.09171400 0.55849100 1.0 O O52 1 0.45693600 0.90828600 0.44150900 1.0 O O53 1 0.34691300 0.75375900 0.92458100 1.0 O O54 1 0.65308700 0.24624100 0.07541900 1.0 O O55 1 0.28987300 0.33241000 0.82192900 1.0 O O56 1 0.71012700 0.66759000 0.17807100 1.0 O O57 1 0.63375900 0.35154100 0.57198000 1.0 O O58 1 0.36624100 0.64845900 0.42802000 1.0 O O59 1 0.06730500 0.34472500 0.52712700 1.0 O O60 1 0.93269500 0.65527500 0.47287300 1.0 O O61 1 0.45010200 0.61080700 0.69499000 1.0 O O62 1 0.54989800 0.38919300 0.30501000 1.0 O O63 1 0.48552200 0.17828600 0.48468600 1.0 O O64 1 0.51447800 0.82171400 0.51531400 1.0 O O65 1 0.40059900 0.91398300 0.72075000 1.0 O O66 1 0.59940100 0.08601700 0.27925000 1.0