# generated using pymatgen data_Ca3Y(RuO3)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25704789 _cell_length_b 7.34086268 _cell_length_c 10.82035601 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.98506142 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Y(RuO3)8 _chemical_formula_sum 'Ca3 Y1 Ru8 O24' _cell_volume 417.57122957 _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 Ca Ca0 1 0.95356319 0.25000000 0.45506342 1.0 Ca Ca1 1 0.54253071 0.25000000 0.95409591 1.0 Ca Ca2 1 0.04611505 0.75000000 0.54595556 1.0 Y Y3 1 0.45183268 0.75000000 0.04653519 1.0 Ru Ru4 1 0.55995608 0.49885754 0.63969456 1.0 Ru Ru5 1 0.05862416 0.50040477 0.85989273 1.0 Ru Ru6 1 0.44048430 0.99943462 0.36146843 1.0 Ru Ru7 1 0.94145310 0.00243767 0.13987403 1.0 Ru Ru8 1 0.05862416 0.99959523 0.85989273 1.0 Ru Ru9 1 0.55995608 0.00114246 0.63969456 1.0 Ru Ru10 1 0.94145310 0.49756233 0.13987403 1.0 Ru Ru11 1 0.44048430 0.50056538 0.36146843 1.0 O O12 1 0.68175597 0.25000000 0.62578594 1.0 O O13 1 0.18660300 0.75000000 0.87933979 1.0 O O14 1 0.32211533 0.75000000 0.37559302 1.0 O O15 1 0.82187220 0.25000000 0.12270407 1.0 O O16 1 0.43906071 0.75000000 0.64662473 1.0 O O17 1 0.93888533 0.25000000 0.85704995 1.0 O O18 1 0.56222314 0.25000000 0.35163912 1.0 O O19 1 0.06905245 0.75000000 0.14704696 1.0 O O20 1 0.13054382 0.43609848 0.28187529 1.0 O O21 1 0.62475251 0.56676834 0.21297634 1.0 O O22 1 0.86833953 0.93410465 0.71730407 1.0 O O23 1 0.36535671 0.06413382 0.78130769 1.0 O O24 1 0.77006931 0.95063461 0.97793256 1.0 O O25 1 0.27527912 0.04501059 0.52228314 1.0 O O26 1 0.23289594 0.46197850 0.02498677 1.0 O O27 1 0.72444004 0.54439474 0.47668805 1.0 O O28 1 0.23289594 0.03802150 0.02498677 1.0 O O29 1 0.72444004 0.95560526 0.47668805 1.0 O O30 1 0.77006931 0.54936539 0.97793256 1.0 O O31 1 0.27527912 0.45498941 0.52228314 1.0 O O32 1 0.62475251 0.93323166 0.21297634 1.0 O O33 1 0.13054382 0.06390152 0.28187529 1.0 O O34 1 0.36535671 0.43586618 0.78130769 1.0 O O35 1 0.86833953 0.56589535 0.71730407 1.0