# generated using pymatgen data_Li2PdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19563700 _cell_length_b 5.20071820 _cell_length_c 25.93400363 _cell_angle_alpha 85.56134017 _cell_angle_beta 86.64309579 _cell_angle_gamma 79.55371669 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2PdO3 _chemical_formula_sum 'Li24 Pd12 O36' _cell_volume 686.37322798 _cell_formula_units_Z 12 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 Li Li0 1 0.51563300 0.13289800 0.94037800 1.0 Li Li1 1 0.50187700 0.32925900 0.83857600 1.0 Li Li2 1 0.99980600 0.66313800 0.66844100 1.0 Li Li3 1 0.73192500 0.77484300 0.86720600 1.0 Li Li4 1 0.73826900 0.54700200 0.97175300 1.0 Li Li5 1 0.27964400 0.69151800 0.91442300 1.0 Li Li6 1 0.49923900 0.99764000 0.50145700 1.0 Li Li7 1 0.24195200 0.10104000 0.69891400 1.0 Li Li8 1 0.25655200 0.88258100 0.81166700 1.0 Li Li9 1 0.74655500 0.00663400 0.75388300 1.0 Li Li10 1 0.49747900 0.44819200 0.27417800 1.0 Li Li11 1 0.74026900 0.42993500 0.53169900 1.0 Li Li12 1 0.74722600 0.20891200 0.64354700 1.0 Li Li13 1 0.24987300 0.33612600 0.58826800 1.0 Li Li14 1 0.97933600 0.77297700 0.11070200 1.0 Li Li15 1 0.27237000 0.78313900 0.35518900 1.0 Li Li16 1 0.25626600 0.54945000 0.47729300 1.0 Li Li17 1 0.72921400 0.66219500 0.42031100 1.0 Li Li18 1 0.74308900 0.10572700 0.18584200 1.0 Li Li19 1 0.74458000 0.90321100 0.29698200 1.0 Li Li20 1 0.25913100 0.01955500 0.24266000 1.0 Li Li21 1 0.74262400 0.30398500 0.08174300 1.0 Li Li22 1 0.26271200 0.20743700 0.13578400 1.0 Li Li23 1 0.49966300 0.90317000 0.05571000 1.0 Pd Pd24 1 0.50203600 0.55872100 0.72205000 1.0 Pd Pd25 1 0.00431400 0.44988800 0.77800900 1.0 Pd Pd26 1 0.00008900 0.88699200 0.55567100 1.0 Pd Pd27 1 0.50121800 0.77797000 0.61107200 1.0 Pd Pd28 1 0.50023900 0.22205700 0.38864000 1.0 Pd Pd29 1 0.00021200 0.10688100 0.44536100 1.0 Pd Pd30 1 0.99935800 0.33768700 0.33193100 1.0 Pd Pd31 1 0.99514500 0.55737300 0.22111300 1.0 Pd Pd32 1 0.49266100 0.66676300 0.16398100 1.0 Pd Pd33 1 0.00575200 0.23174400 0.88904000 1.0 Pd Pd34 1 0.99801900 0.00284800 0.00083300 1.0 Pd Pd35 1 0.25718500 0.44855900 0.02918400 1.0 O O36 1 0.11239200 0.32138900 0.96299000 1.0 O O37 1 0.64437300 0.44917900 0.90268700 1.0 O O38 1 0.11318700 0.54860100 0.84635300 1.0 O O39 1 0.63685600 0.66351900 0.78745100 1.0 O O40 1 0.13525000 0.76097100 0.73787600 1.0 O O41 1 0.61138300 0.87655700 0.67918000 1.0 O O42 1 0.13338100 0.99153600 0.62150300 1.0 O O43 1 0.63474600 0.09085300 0.57124300 1.0 O O44 1 0.11015800 0.20426300 0.51305800 1.0 O O45 1 0.63189300 0.32171200 0.45619900 1.0 O O46 1 0.89650300 0.91362400 0.93037700 1.0 O O47 1 0.35418700 0.76980900 0.99072700 1.0 O O48 1 0.63293800 0.53503800 0.34927000 1.0 O O49 1 0.12468900 0.42360400 0.40281000 1.0 O O50 1 0.10549100 0.65262000 0.29206000 1.0 O O51 1 0.36773300 0.01406400 0.87591500 1.0 O O52 1 0.37390600 0.25113300 0.76162600 1.0 O O53 1 0.89579400 0.13905300 0.82074600 1.0 O O54 1 0.62348900 0.77183700 0.23167600 1.0 O O55 1 0.12450700 0.86336900 0.18083300 1.0 O O56 1 0.61244200 0.97259200 0.12570000 1.0 O O57 1 0.86923900 0.34007000 0.71084500 1.0 O O58 1 0.86990700 0.57918300 0.59495900 1.0 O O59 1 0.38895900 0.46465500 0.65209800 1.0 O O60 1 0.11907000 0.12759000 0.06634600 1.0 O O61 1 0.61641800 0.20489000 0.01232000 1.0 O O62 1 0.36762100 0.67049100 0.54390600 1.0 O O63 1 0.36642400 0.90822700 0.42812400 1.0 O O64 1 0.89037900 0.79233500 0.48542400 1.0 O O65 1 0.87590100 0.01950100 0.37517000 1.0 O O66 1 0.88821700 0.24009400 0.26463600 1.0 O O67 1 0.36888200 0.12399700 0.32138400 1.0 O O68 1 0.35751400 0.35140900 0.20698600 1.0 O O69 1 0.39263300 0.50637600 0.09940300 1.0 O O70 1 0.86076700 0.45242000 0.15588900 1.0 O O71 1 0.90125800 0.67539400 0.03873900 1.0