# generated using pymatgen data_Sc22CoOs6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41318008 _cell_length_b 9.41318067 _cell_length_c 9.41317936 _cell_angle_alpha 60.00000114 _cell_angle_beta 59.99999906 _cell_angle_gamma 60.00000547 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22CoOs6Ru _chemical_formula_sum 'Sc22 Co1 Os6 Ru1' _cell_volume 589.78553395 _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 Sc Sc0 1 0.84390726 0.84390726 0.84390726 1.0 Sc Sc1 1 0.53171977 0.15609274 0.15609274 1.0 Sc Sc2 1 0.15609274 0.15609274 0.53171977 1.0 Sc Sc3 1 0.15609274 0.53171977 0.15609274 1.0 Sc Sc4 1 0.84390726 0.84390726 0.46828023 1.0 Sc Sc5 1 0.84390726 0.46828023 0.84390726 1.0 Sc Sc6 1 0.46828023 0.84390726 0.84390726 1.0 Sc Sc7 1 0.15609274 0.15609274 0.15609274 1.0 Sc Sc8 1 0.19791655 0.80208345 0.19791655 1.0 Sc Sc9 1 0.19791655 0.80208345 0.80208345 1.0 Sc Sc10 1 0.80208345 0.19791655 0.19791655 1.0 Sc Sc11 1 0.80208345 0.80208345 0.19791655 1.0 Sc Sc12 1 0.19791655 0.19791655 0.80208345 1.0 Sc Sc13 1 0.80208345 0.19791655 0.80208345 1.0 Sc Sc14 1 0.38455222 0.38455222 0.38455222 1.0 Sc Sc15 1 0.15365765 0.61544778 0.61544778 1.0 Sc Sc16 1 0.61544778 0.15365765 0.61544778 1.0 Sc Sc17 1 0.61544778 0.61544778 0.15365765 1.0 Sc Sc18 1 0.38455222 0.84634235 0.38455222 1.0 Sc Sc19 1 0.38455222 0.38455222 0.84634235 1.0 Sc Sc20 1 0.84634235 0.38455222 0.38455222 1.0 Sc Sc21 1 0.61544778 0.61544778 0.61544778 1.0 Co Co22 1 0.50000000 0.50000000 0.50000000 1.0 Os Os23 1 0.50000000 0.50000000 0.00000000 1.0 Os Os24 1 0.00000000 0.00000000 0.50000000 1.0 Os Os25 1 0.50000000 0.00000000 0.50000000 1.0 Os Os26 1 0.00000000 0.50000000 0.50000000 1.0 Os Os27 1 0.50000000 0.00000000 0.00000000 1.0 Os Os28 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru29 1 0.00000000 0.00000000 0.00000000 1.0