# generated using pymatgen data_Na4TeMo6H40(NO20)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.90948100 _cell_length_b 11.41878376 _cell_length_c 11.48613629 _cell_angle_alpha 99.28792625 _cell_angle_beta 108.86068947 _cell_angle_gamma 117.45437819 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4TeMo6H40(NO20)2 _chemical_formula_sum 'Na4 Te1 Mo6 H40 N2 O40' _cell_volume 1116.42138831 _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 0.37943100 0.54704100 0.88354400 1.0 Na Na1 1 0.62056900 0.45295900 0.11645600 1.0 Na Na2 1 0.65755600 0.09640600 0.34536000 1.0 Na Na3 1 0.34244400 0.90359400 0.65464000 1.0 Te Te4 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo5 1 0.28572800 0.28141400 0.45002200 1.0 Mo Mo6 1 0.71427200 0.71858600 0.54997800 1.0 Mo Mo7 1 0.89101900 0.09101300 0.71921000 1.0 Mo Mo8 1 0.10898100 0.90898700 0.28079000 1.0 Mo Mo9 1 0.09186800 0.36898000 0.05590800 1.0 Mo Mo10 1 0.90813200 0.63102000 0.94409200 1.0 H H11 1 0.33540500 0.65582200 0.36971700 1.0 H H12 1 0.66459500 0.34417800 0.63028300 1.0 H H13 1 0.15788800 0.66883600 0.55229200 1.0 H H14 1 0.84211200 0.33116400 0.44770800 1.0 H H15 1 0.60339500 0.10370200 0.59975200 1.0 H H16 1 0.39660500 0.89629800 0.40024800 1.0 H H17 1 0.19684800 0.54754900 0.11713300 1.0 H H18 1 0.80315200 0.45245100 0.88286700 1.0 H H19 1 0.26453100 0.26607400 0.95422100 1.0 H H20 1 0.73546900 0.73392600 0.04577900 1.0 H H21 1 0.35159900 0.24057200 0.78389800 1.0 H H22 1 0.64840100 0.75942800 0.21610200 1.0 H H23 1 0.19676800 0.41743900 0.35286900 1.0 H H24 1 0.80323200 0.58256100 0.64713100 1.0 H H25 1 0.58412200 0.63536500 0.68687600 1.0 H H26 1 0.41587800 0.36463500 0.31312400 1.0 H H27 1 0.41843500 0.90966500 0.94025800 1.0 H H28 1 0.58156500 0.09033500 0.05974200 1.0 H H29 1 0.08446100 0.56259000 0.85572800 1.0 H H30 1 0.91553900 0.43741000 0.14427200 1.0 H H31 1 0.77458000 0.04698900 0.05680100 1.0 H H32 1 0.22542000 0.95301100 0.94319900 1.0 H H33 1 0.28369300 0.62349500 0.67402300 1.0 H H34 1 0.71630700 0.37650500 0.32597700 1.0 H H35 1 0.39551300 0.66962000 0.59520500 1.0 H H36 1 0.60448700 0.33038000 0.40479500 1.0 H H37 1 0.72722700 0.98720900 0.86458600 1.0 H H38 1 0.27277300 0.01279100 0.13541400 1.0 H H39 1 0.88988800 0.54947600 0.35317400 1.0 H H40 1 0.11011200 0.45052400 0.64682600 1.0 H H41 1 0.04026700 0.64358200 0.60617500 1.0 H H42 1 0.95973300 0.35641800 0.39382500 1.0 H H43 1 0.13284200 0.02328500 0.64764800 1.0 H H44 1 0.86715800 0.97671500 0.35235200 1.0 H H45 1 0.91638300 0.07986300 0.19744500 1.0 H H46 1 0.08361700 0.92013700 0.80255500 1.0 H H47 1 0.78185900 0.19888200 0.84363300 1.0 H H48 1 0.21814100 0.80111800 0.15636700 1.0 H H49 1 0.85387700 0.63369300 0.13550300 1.0 H H50 1 0.14612300 0.36630700 0.86449700 1.0 N N51 1 0.56306700 0.65346100 0.59930000 1.0 N N52 1 0.43693300 0.34653900 0.40070000 1.0 O O53 1 0.11899400 0.08692900 0.33565400 1.0 O O54 1 0.88100600 0.91307100 0.66434600 1.0 O O55 1 0.21981500 0.39374200 0.20970900 1.0 O O56 1 0.78018500 0.60625800 0.79029100 1.0 O O57 1 0.19585400 0.38843500 0.43021900 1.0 O O58 1 0.80414600 0.61156500 0.56978100 1.0 O O59 1 0.37329400 0.29911100 0.61369900 1.0 O O60 1 0.62670600 0.70088900 0.38630100 1.0 O O61 1 0.79243900 0.96612100 0.83309600 1.0 O O62 1 0.20756100 0.03387900 0.16690400 1.0 O O63 1 0.89120300 0.08691700 0.10970000 1.0 O O64 1 0.10879700 0.91308300 0.89030000 1.0 O O65 1 0.10500900 0.19478000 0.97593600 1.0 O O66 1 0.89499100 0.80522000 0.02406400 1.0 O O67 1 0.88313300 0.23401400 0.84489900 1.0 O O68 1 0.11686700 0.76598600 0.15510100 1.0 O O69 1 0.07425900 0.21063200 0.73692200 1.0 O O70 1 0.92574100 0.78936800 0.26307800 1.0 O O71 1 0.77484100 0.07434300 0.56704000 1.0 O O72 1 0.22515900 0.92565700 0.43296000 1.0 O O73 1 0.94516300 0.38788300 0.08970600 1.0 O O74 1 0.05483700 0.61211700 0.91029400 1.0 O O75 1 0.19052500 0.44627300 0.94749700 1.0 O O76 1 0.80947500 0.55372700 0.05250300 1.0 O O77 1 0.36741400 0.32467300 0.95198700 1.0 O O78 1 0.63258600 0.67532700 0.04801300 1.0 O O79 1 0.62814900 0.78155100 0.13489000 1.0 O O80 1 0.37185100 0.21844900 0.86511000 1.0 O O81 1 0.81479100 0.46526800 0.27237200 1.0 O O82 1 0.18520900 0.53473200 0.72762800 1.0 O O83 1 0.08102600 0.69324900 0.55275300 1.0 O O84 1 0.91897400 0.30675100 0.44724700 1.0 O O85 1 0.47533800 0.90296900 0.88484900 1.0 O O86 1 0.52466200 0.09703100 0.11515100 1.0 O O87 1 0.66474300 0.30607200 0.37075000 1.0 O O88 1 0.33525700 0.69392800 0.62925000 1.0 O O89 1 0.37575000 0.96639700 0.04325400 1.0 O O90 1 0.62425000 0.03360300 0.95674600 1.0 O O91 1 0.45853000 0.97512800 0.37900100 1.0 O O92 1 0.54147000 0.02487200 0.62099900 1.0