# generated using pymatgen data_ZrCrSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.02447900 _cell_length_b 9.13900000 _cell_length_c 9.80843200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrSi2 _chemical_formula_sum 'Zr12 Cr12 Si24' _cell_volume 719.30835983 _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 Zr Zr0 1 0.50000000 0.83052300 0.32006600 1.0 Zr Zr1 1 0.50000000 0.16947700 0.67993400 1.0 Zr Zr2 1 0.50000000 0.33052300 0.17993400 1.0 Zr Zr3 1 0.50000000 0.66947700 0.82006600 1.0 Zr Zr4 1 0.74664400 0.17240300 0.95213800 1.0 Zr Zr5 1 0.74664400 0.82759700 0.04786200 1.0 Zr Zr6 1 0.25335600 0.67240300 0.54786200 1.0 Zr Zr7 1 0.25335600 0.32759700 0.45213800 1.0 Zr Zr8 1 0.25335600 0.82759700 0.04786200 1.0 Zr Zr9 1 0.25335600 0.17240300 0.95213800 1.0 Zr Zr10 1 0.74664400 0.32759700 0.45213800 1.0 Zr Zr11 1 0.74664400 0.67240300 0.54786200 1.0 Cr Cr12 1 0.74954300 0.92058700 0.74620200 1.0 Cr Cr13 1 0.25444100 0.50000000 0.00000000 1.0 Cr Cr14 1 0.25444100 0.00000000 0.50000000 1.0 Cr Cr15 1 0.74555900 0.50000000 0.00000000 1.0 Cr Cr16 1 0.74954300 0.42058700 0.75379800 1.0 Cr Cr17 1 0.74954300 0.57941300 0.24620200 1.0 Cr Cr18 1 0.25045700 0.92058700 0.74620200 1.0 Cr Cr19 1 0.25045700 0.07941300 0.25379800 1.0 Cr Cr20 1 0.25045700 0.57941300 0.24620200 1.0 Cr Cr21 1 0.25045700 0.42058700 0.75379800 1.0 Cr Cr22 1 0.74954300 0.07941300 0.25379800 1.0 Cr Cr23 1 0.74555900 0.00000000 0.50000000 1.0 Si Si24 1 0.00000000 0.60965900 0.09847500 1.0 Si Si25 1 0.00000000 0.39034100 0.90152500 1.0 Si Si26 1 0.00000000 0.10965900 0.40152500 1.0 Si Si27 1 0.00000000 0.89034100 0.59847500 1.0 Si Si28 1 0.50000000 0.62428900 0.10398500 1.0 Si Si29 1 0.50000000 0.37571100 0.89601500 1.0 Si Si30 1 0.50000000 0.12428900 0.39601500 1.0 Si Si31 1 0.50000000 0.87571100 0.60398500 1.0 Si Si32 1 0.00000000 0.54032700 0.37466700 1.0 Si Si33 1 0.00000000 0.45967300 0.62533300 1.0 Si Si34 1 0.00000000 0.04032700 0.12533300 1.0 Si Si35 1 0.00000000 0.95967300 0.87466700 1.0 Si Si36 1 0.50000000 0.53938500 0.37936500 1.0 Si Si37 1 0.50000000 0.46061500 0.62063500 1.0 Si Si38 1 0.50000000 0.03938500 0.12063500 1.0 Si Si39 1 0.50000000 0.96061500 0.87936500 1.0 Si Si40 1 0.85098200 0.17081400 0.68111800 1.0 Si Si41 1 0.85098200 0.67081400 0.81888200 1.0 Si Si42 1 0.14901800 0.67081400 0.81888200 1.0 Si Si43 1 0.14901800 0.32918600 0.18111800 1.0 Si Si44 1 0.14901800 0.82918600 0.31888200 1.0 Si Si45 1 0.14901800 0.17081400 0.68111800 1.0 Si Si46 1 0.85098200 0.32918600 0.18111800 1.0 Si Si47 1 0.85098200 0.82918600 0.31888200 1.0