# generated using pymatgen data_Pd7O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78594700 _cell_length_b 7.78731200 _cell_length_c 25.37748074 _cell_angle_alpha 89.75303623 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd7O8 _chemical_formula_sum 'Pd42 O48' _cell_volume 1143.42188096 _cell_formula_units_Z 6 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 Pd Pd0 1 0.00000000 0.25302600 0.91746400 1.0 Pd Pd1 1 0.00000000 0.87131600 0.62674800 1.0 Pd Pd2 1 0.00000000 0.12550500 0.70546900 1.0 Pd Pd3 1 0.74994100 0.50000000 0.00000000 1.0 Pd Pd4 1 0.74964800 0.99581600 0.16668400 1.0 Pd Pd5 1 0.75154200 0.49993400 0.33398000 1.0 Pd Pd6 1 0.75255700 0.00000000 0.50000000 1.0 Pd Pd7 1 0.75154200 0.50006600 0.66602000 1.0 Pd Pd8 1 0.74964800 0.00418400 0.83331600 1.0 Pd Pd9 1 0.50000000 0.74772600 0.25138100 1.0 Pd Pd10 1 0.50000000 0.25092200 0.41693600 1.0 Pd Pd11 1 0.50000000 0.74907800 0.58306400 1.0 Pd Pd12 1 0.50000000 0.25227400 0.74861900 1.0 Pd Pd13 1 0.50000000 0.12911000 0.96111000 1.0 Pd Pd14 1 0.50000000 0.87089000 0.03889000 1.0 Pd Pd15 1 0.50000000 0.62204000 0.12362200 1.0 Pd Pd16 1 0.50000000 0.37558000 0.20824200 1.0 Pd Pd17 1 0.50000000 0.11893600 0.28937300 1.0 Pd Pd18 1 0.50000000 0.88236200 0.37830200 1.0 Pd Pd19 1 0.50000000 0.61873900 0.45572000 1.0 Pd Pd20 1 0.50000000 0.11763800 0.62169800 1.0 Pd Pd21 1 0.50000000 0.38126100 0.54428000 1.0 Pd Pd22 1 0.50000000 0.62442000 0.79175800 1.0 Pd Pd23 1 0.50000000 0.88106400 0.71062700 1.0 Pd Pd24 1 0.50000000 0.37796000 0.87637800 1.0 Pd Pd25 1 0.25005900 0.50000000 0.00000000 1.0 Pd Pd26 1 0.24845800 0.49993400 0.33398000 1.0 Pd Pd27 1 0.25035200 0.99581600 0.16668400 1.0 Pd Pd28 1 0.24744300 0.00000000 0.50000000 1.0 Pd Pd29 1 0.24845800 0.50006600 0.66602000 1.0 Pd Pd30 1 0.25035200 0.00418400 0.83331600 1.0 Pd Pd31 1 0.00000000 0.88289100 0.95582900 1.0 Pd Pd32 1 0.00000000 0.37639400 0.12578900 1.0 Pd Pd33 1 0.00000000 0.74697400 0.08253600 1.0 Pd Pd34 1 0.00000000 0.87449500 0.29453100 1.0 Pd Pd35 1 0.00000000 0.37332900 0.46052300 1.0 Pd Pd36 1 0.00000000 0.11710900 0.04417100 1.0 Pd Pd37 1 0.00000000 0.37820800 0.78965500 1.0 Pd Pd38 1 0.00000000 0.62179200 0.21034500 1.0 Pd Pd39 1 0.00000000 0.12868400 0.37325200 1.0 Pd Pd40 1 0.00000000 0.62667100 0.53947700 1.0 Pd Pd41 1 0.00000000 0.62360600 0.87421100 1.0 O O42 1 0.77455900 0.53337700 0.08097500 1.0 O O43 1 0.72867000 0.96401900 0.24879500 1.0 O O44 1 0.72943400 0.46308900 0.41501000 1.0 O O45 1 0.77455900 0.46662300 0.91902500 1.0 O O46 1 0.72948300 0.96122300 0.58119300 1.0 O O47 1 0.72511600 0.46816200 0.74709400 1.0 O O48 1 0.77082500 0.96057300 0.08468200 1.0 O O49 1 0.72511600 0.53183800 0.25290600 1.0 O O50 1 0.77082500 0.03942700 0.91531800 1.0 O O51 1 0.72948300 0.03877700 0.41880700 1.0 O O52 1 0.74763000 0.73635700 0.16769300 1.0 O O53 1 0.74399200 0.75733100 0.99283500 1.0 O O54 1 0.72943400 0.53691100 0.58499000 1.0 O O55 1 0.72867000 0.03598100 0.75120500 1.0 O O56 1 0.74399200 0.24266900 0.00716500 1.0 O O57 1 0.75007400 0.25257600 0.16687100 1.0 O O58 1 0.74271400 0.25828000 0.50231000 1.0 O O59 1 0.75007200 0.75852500 0.33854300 1.0 O O60 1 0.74271400 0.74172000 0.49769000 1.0 O O61 1 0.74283700 0.75779800 0.66886900 1.0 O O62 1 0.74283700 0.24220200 0.33113100 1.0 O O63 1 0.74763000 0.26364300 0.83230700 1.0 O O64 1 0.75007200 0.24147500 0.66145700 1.0 O O65 1 0.75007400 0.74742400 0.83312900 1.0 O O66 1 0.25600800 0.75733100 0.99283500 1.0 O O67 1 0.25600800 0.24266900 0.00716500 1.0 O O68 1 0.22917500 0.03942700 0.91531800 1.0 O O69 1 0.22544100 0.53337700 0.08097500 1.0 O O70 1 0.24992800 0.75852500 0.33854300 1.0 O O71 1 0.25728600 0.25828000 0.50231000 1.0 O O72 1 0.24992600 0.25257600 0.16687100 1.0 O O73 1 0.27133000 0.96401900 0.24879500 1.0 O O74 1 0.27056600 0.46308900 0.41501000 1.0 O O75 1 0.25716300 0.24220200 0.33113100 1.0 O O76 1 0.25716300 0.75779800 0.66886900 1.0 O O77 1 0.25237000 0.26364300 0.83230700 1.0 O O78 1 0.25237000 0.73635700 0.16769300 1.0 O O79 1 0.25728600 0.74172000 0.49769000 1.0 O O80 1 0.27051700 0.96122300 0.58119300 1.0 O O81 1 0.24992800 0.24147500 0.66145700 1.0 O O82 1 0.24992600 0.74742400 0.83312900 1.0 O O83 1 0.22544100 0.46662300 0.91902500 1.0 O O84 1 0.22917500 0.96057300 0.08468200 1.0 O O85 1 0.27488400 0.46816200 0.74709400 1.0 O O86 1 0.27488400 0.53183800 0.25290600 1.0 O O87 1 0.27051700 0.03877700 0.41880700 1.0 O O88 1 0.27056600 0.53691100 0.58499000 1.0 O O89 1 0.27133000 0.03598100 0.75120500 1.0