# generated using pymatgen data_ZrFeGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98878100 _cell_length_b 9.23268900 _cell_length_c 10.24036200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFeGe2 _chemical_formula_sum 'Zr12 Fe12 Ge24' _cell_volume 755.30790830 _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 0.74645700 0.82690900 0.04896800 1.0 Zr Zr1 1 0.74645700 0.17309100 0.95103200 1.0 Zr Zr2 1 0.25354300 0.67309100 0.54896800 1.0 Zr Zr3 1 0.25354300 0.32690900 0.45103200 1.0 Zr Zr4 1 0.25354300 0.17309100 0.95103200 1.0 Zr Zr5 1 0.25354300 0.82690900 0.04896800 1.0 Zr Zr6 1 0.74645700 0.32690900 0.45103200 1.0 Zr Zr7 1 0.74645700 0.67309100 0.54896800 1.0 Zr Zr8 1 0.50000000 0.83575800 0.32225500 1.0 Zr Zr9 1 0.50000000 0.16424200 0.67774500 1.0 Zr Zr10 1 0.50000000 0.66424200 0.82225500 1.0 Zr Zr11 1 0.50000000 0.33575800 0.17774500 1.0 Fe Fe12 1 0.74925200 0.59209800 0.25209700 1.0 Fe Fe13 1 0.74925200 0.40790200 0.74790300 1.0 Fe Fe14 1 0.25074800 0.90790200 0.75209700 1.0 Fe Fe15 1 0.25074800 0.09209800 0.24790300 1.0 Fe Fe16 1 0.25074800 0.40790200 0.74790300 1.0 Fe Fe17 1 0.25074800 0.59209800 0.25209700 1.0 Fe Fe18 1 0.74925200 0.09209800 0.24790300 1.0 Fe Fe19 1 0.74925200 0.90790200 0.75209700 1.0 Fe Fe20 1 0.74627500 0.00000000 0.50000000 1.0 Fe Fe21 1 0.25372500 0.50000000 0.00000000 1.0 Fe Fe22 1 0.25372500 0.00000000 0.50000000 1.0 Fe Fe23 1 0.74627500 0.50000000 0.00000000 1.0 Ge Ge24 1 0.84371800 0.84285900 0.31943100 1.0 Ge Ge25 1 0.84371800 0.15714100 0.68056900 1.0 Ge Ge26 1 0.15628200 0.65714100 0.81943100 1.0 Ge Ge27 1 0.15628200 0.34285900 0.18056900 1.0 Ge Ge28 1 0.15628200 0.15714100 0.68056900 1.0 Ge Ge29 1 0.15628200 0.84285900 0.31943100 1.0 Ge Ge30 1 0.84371800 0.34285900 0.18056900 1.0 Ge Ge31 1 0.84371800 0.65714100 0.81943100 1.0 Ge Ge32 1 0.50000000 0.54001600 0.37905300 1.0 Ge Ge33 1 0.50000000 0.45998400 0.62094700 1.0 Ge Ge34 1 0.50000000 0.95998400 0.87905300 1.0 Ge Ge35 1 0.50000000 0.04001600 0.12094700 1.0 Ge Ge36 1 0.00000000 0.55268500 0.37940200 1.0 Ge Ge37 1 0.00000000 0.44731500 0.62059800 1.0 Ge Ge38 1 0.00000000 0.94731500 0.87940200 1.0 Ge Ge39 1 0.00000000 0.05268500 0.12059800 1.0 Ge Ge40 1 0.50000000 0.62878800 0.10299400 1.0 Ge Ge41 1 0.50000000 0.37121200 0.89700600 1.0 Ge Ge42 1 0.50000000 0.87121200 0.60299400 1.0 Ge Ge43 1 0.50000000 0.12878800 0.39700600 1.0 Ge Ge44 1 0.00000000 0.62278400 0.10140600 1.0 Ge Ge45 1 0.00000000 0.37721600 0.89859400 1.0 Ge Ge46 1 0.00000000 0.87721600 0.60140600 1.0 Ge Ge47 1 0.00000000 0.12278400 0.39859400 1.0