# generated using pymatgen data_Sr2ZrCrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08204316 _cell_length_b 8.08678785 _cell_length_c 9.83858673 _cell_angle_alpha 114.25939916 _cell_angle_beta 65.75584280 _cell_angle_gamma 89.98931571 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrCrO6 _chemical_formula_sum 'Sr8 Zr4 Cr4 O24' _cell_volume 523.39111099 _cell_formula_units_Z 4 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 Sr Sr0 1 0.12503900 0.37514700 0.24993400 1.0 Sr Sr1 1 0.37505900 0.62501400 0.74994500 1.0 Sr Sr2 1 0.62501500 0.87476700 0.24993100 1.0 Sr Sr3 1 0.87499800 0.12492500 0.74994200 1.0 Sr Sr4 1 0.62504600 0.37538600 0.25008800 1.0 Sr Sr5 1 0.87509600 0.62499700 0.75010100 1.0 Sr Sr6 1 0.12488700 0.87471200 0.25008700 1.0 Sr Sr7 1 0.37483100 0.12509800 0.75009100 1.0 Zr Zr8 1 0.75011400 0.24987100 0.49977900 1.0 Zr Zr9 1 0.99999700 0.49999600 0.99997100 1.0 Zr Zr10 1 0.25003200 0.74997200 0.49994200 1.0 Zr Zr11 1 0.49996500 0.00002500 0.00005800 1.0 Cr Cr12 1 0.50004000 0.49995200 0.99990800 1.0 Cr Cr13 1 0.74994700 0.75011400 0.50007700 1.0 Cr Cr14 1 0.99998000 0.00004100 0.00008000 1.0 Cr Cr15 1 0.24993000 0.24995500 0.49995900 1.0 O O16 1 0.88080700 0.11922600 0.23846000 1.0 O O17 1 0.13087600 0.36912700 0.73831100 1.0 O O18 1 0.38087300 0.61917900 0.23830700 1.0 O O19 1 0.63076300 0.86918500 0.73842600 1.0 O O20 1 0.61920900 0.38071600 0.76149700 1.0 O O21 1 0.86913800 0.63089100 0.26174400 1.0 O O22 1 0.11917800 0.88084900 0.76161500 1.0 O O23 1 0.36920000 0.13081100 0.26158100 1.0 O O24 1 0.99996000 0.24423400 0.00019100 1.0 O O25 1 0.25048100 0.48886400 0.49978100 1.0 O O26 1 0.50026500 0.74400700 0.00000600 1.0 O O27 1 0.74959600 0.98890800 0.50010800 1.0 O O28 1 0.75031600 0.51118600 0.50010700 1.0 O O29 1 0.99987900 0.75597300 0.00019600 1.0 O O30 1 0.24972800 0.01091800 0.49978500 1.0 O O31 1 0.49979000 0.25593500 0.99989500 1.0 O O32 1 0.49371200 0.25036200 0.50023500 1.0 O O33 1 0.73894700 0.50026100 0.99991200 1.0 O O34 1 0.99392500 0.74963600 0.50000200 1.0 O O35 1 0.23870600 0.00003200 0.99989600 1.0 O O36 1 0.00604800 0.24986500 0.50023700 1.0 O O37 1 0.26116500 0.49960200 0.99986800 1.0 O O38 1 0.50604500 0.75039200 0.50006100 1.0 O O39 1 0.76141600 0.99987100 0.99988700 1.0