# generated using pymatgen data_Mg3P4H28(NO12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.76038000 _cell_length_b 7.74361048 _cell_length_c 6.76113515 _cell_angle_alpha 97.91688128 _cell_angle_beta 96.93187999 _cell_angle_gamma 104.65069175 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3P4H28(NO12)2 _chemical_formula_sum 'Mg3 P4 H28 N2 O24' _cell_volume 532.69614380 _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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.34014600 0.59694900 0.75910000 1.0 Mg Mg2 1 0.65985400 0.40305100 0.24090000 1.0 P P3 1 0.24908600 0.87197900 0.66570900 1.0 P P4 1 0.75091400 0.12802100 0.33429100 1.0 P P5 1 0.20444500 0.47274700 0.30479400 1.0 P P6 1 0.79555500 0.52725300 0.69520600 1.0 H H7 1 0.15592300 0.73452600 0.38736100 1.0 H H8 1 0.84407700 0.26547400 0.61263900 1.0 H H9 1 0.98677200 0.28288700 0.22410800 1.0 H H10 1 0.01322800 0.71711300 0.77589200 1.0 H H11 1 0.37316600 0.97387300 0.21893600 1.0 H H12 1 0.62683400 0.02612700 0.78106400 1.0 H H13 1 0.17830900 0.90665000 0.27211700 1.0 H H14 1 0.82169100 0.09335000 0.72788300 1.0 H H15 1 0.73068500 0.76831000 0.94540000 1.0 H H16 1 0.26931500 0.23169000 0.05460000 1.0 H H17 1 0.70709500 0.88483400 0.11534700 1.0 H H18 1 0.29290500 0.11516600 0.88465300 1.0 H H19 1 0.32082600 0.78348200 0.05665700 1.0 H H20 1 0.67917400 0.21651800 0.94334300 1.0 H H21 1 0.30185400 0.65527900 0.11500400 1.0 H H22 1 0.69814600 0.34472100 0.88499600 1.0 H H23 1 0.10164400 0.40990000 0.81295800 1.0 H H24 1 0.89835600 0.59010000 0.18704200 1.0 H H25 1 0.29573100 0.41573400 0.95849300 1.0 H H26 1 0.70426900 0.58426600 0.04150700 1.0 H H27 1 0.65691400 0.86850800 0.41712100 1.0 H H28 1 0.34308600 0.13149200 0.58287900 1.0 H H29 1 0.57090400 0.77220700 0.54760500 1.0 H H30 1 0.42909600 0.22779300 0.45239500 1.0 H H31 1 0.82170200 0.81867800 0.56179100 1.0 H H32 1 0.17829800 0.18132200 0.43820900 1.0 H H33 1 0.69272900 0.71045700 0.37152700 1.0 H H34 1 0.30727100 0.28954300 0.62847300 1.0 N N35 1 0.68393700 0.79225600 0.47384200 1.0 N N36 1 0.31606300 0.20774400 0.52615800 1.0 O O37 1 0.37171100 0.00924400 0.70935100 1.0 O O38 1 0.62828900 0.99075600 0.29064900 1.0 O O39 1 0.06853700 0.87095700 0.77023500 1.0 O O40 1 0.93146300 0.12904300 0.22976500 1.0 O O41 1 0.38212800 0.77055100 0.69461700 1.0 O O42 1 0.61787200 0.22944900 0.30538300 1.0 O O43 1 0.14987800 0.83024400 0.45308100 1.0 O O44 1 0.85012200 0.16975600 0.54691900 1.0 O O45 1 0.98668700 0.37775800 0.22886400 1.0 O O46 1 0.01331300 0.62224200 0.77113600 1.0 O O47 1 0.35212200 0.40818500 0.18726300 1.0 O O48 1 0.64787800 0.59181500 0.81273700 1.0 O O49 1 0.26482000 0.48328500 0.50364700 1.0 O O50 1 0.73518000 0.51671500 0.49635300 1.0 O O51 1 0.16229600 0.60068400 0.26158800 1.0 O O52 1 0.83770400 0.39931600 0.73841200 1.0 O O53 1 0.22560800 0.93851000 0.17321800 1.0 O O54 1 0.77439200 0.06149000 0.82678200 1.0 O O55 1 0.79761100 0.85279000 0.02902800 1.0 O O56 1 0.20238900 0.14721000 0.97097200 1.0 O O57 1 0.37162300 0.69973400 0.03603700 1.0 O O58 1 0.62837700 0.30026600 0.96396300 1.0 O O59 1 0.25226400 0.42292900 0.83319800 1.0 O O60 1 0.74773600 0.57707100 0.16680200 1.0