# generated using pymatgen data_ZrCrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20717000 _cell_length_b 9.36530700 _cell_length_c 10.11577700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrGe2 _chemical_formula_sum 'Zr12 Cr12 Ge24' _cell_volume 777.52559547 _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 0.74518300 0.82875900 0.04711800 1.0 Zr Zr1 1 0.74518300 0.17124100 0.95288200 1.0 Zr Zr2 1 0.25481700 0.67124100 0.54711800 1.0 Zr Zr3 1 0.25481700 0.32875900 0.45288200 1.0 Zr Zr4 1 0.25481700 0.17124100 0.95288200 1.0 Zr Zr5 1 0.25481700 0.82875900 0.04711800 1.0 Zr Zr6 1 0.74518300 0.32875900 0.45288200 1.0 Zr Zr7 1 0.74518300 0.67124100 0.54711800 1.0 Zr Zr8 1 0.50000000 0.83380300 0.32055300 1.0 Zr Zr9 1 0.50000000 0.16619700 0.67944700 1.0 Zr Zr10 1 0.50000000 0.66619700 0.82055300 1.0 Zr Zr11 1 0.50000000 0.33380300 0.17944700 1.0 Cr Cr12 1 0.74961400 0.58269200 0.24486800 1.0 Cr Cr13 1 0.74961400 0.41730800 0.75513200 1.0 Cr Cr14 1 0.25038600 0.91730800 0.74486800 1.0 Cr Cr15 1 0.25038600 0.08269200 0.25513200 1.0 Cr Cr16 1 0.25038600 0.41730800 0.75513200 1.0 Cr Cr17 1 0.25038600 0.58269200 0.24486800 1.0 Cr Cr18 1 0.74961400 0.08269200 0.25513200 1.0 Cr Cr19 1 0.74961400 0.91730800 0.74486800 1.0 Cr Cr20 1 0.74543900 0.00000000 0.50000000 1.0 Cr Cr21 1 0.25456100 0.50000000 0.00000000 1.0 Cr Cr22 1 0.25456100 0.00000000 0.50000000 1.0 Cr Cr23 1 0.74543900 0.50000000 0.00000000 1.0 Ge Ge24 1 0.84280700 0.83196600 0.31774900 1.0 Ge Ge25 1 0.84280700 0.16803400 0.68225100 1.0 Ge Ge26 1 0.15719300 0.66803400 0.81774900 1.0 Ge Ge27 1 0.15719300 0.33196600 0.18225100 1.0 Ge Ge28 1 0.15719300 0.16803400 0.68225100 1.0 Ge Ge29 1 0.15719300 0.83196600 0.31774900 1.0 Ge Ge30 1 0.84280700 0.33196600 0.18225100 1.0 Ge Ge31 1 0.84280700 0.66803400 0.81774900 1.0 Ge Ge32 1 0.50000000 0.54134900 0.37794800 1.0 Ge Ge33 1 0.50000000 0.45865100 0.62205200 1.0 Ge Ge34 1 0.50000000 0.95865100 0.87794800 1.0 Ge Ge35 1 0.50000000 0.04134900 0.12205200 1.0 Ge Ge36 1 0.00000000 0.54479500 0.37622600 1.0 Ge Ge37 1 0.00000000 0.45520500 0.62377400 1.0 Ge Ge38 1 0.00000000 0.95520500 0.87622600 1.0 Ge Ge39 1 0.00000000 0.04479500 0.12377400 1.0 Ge Ge40 1 0.50000000 0.63163700 0.10166600 1.0 Ge Ge41 1 0.50000000 0.36836300 0.89833400 1.0 Ge Ge42 1 0.50000000 0.86836300 0.60166600 1.0 Ge Ge43 1 0.50000000 0.13163700 0.39833400 1.0 Ge Ge44 1 0.00000000 0.62501300 0.09556100 1.0 Ge Ge45 1 0.00000000 0.37498700 0.90443900 1.0 Ge Ge46 1 0.00000000 0.87498700 0.59556100 1.0 Ge Ge47 1 0.00000000 0.12501300 0.40443900 1.0