# generated using pymatgen data_HfCrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16733700 _cell_length_b 9.26422400 _cell_length_c 10.00192300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrGe2 _chemical_formula_sum 'Hf12 Cr12 Ge24' _cell_volume 756.78589646 _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 Hf Hf0 1 0.74528300 0.82874400 0.04729700 1.0 Hf Hf1 1 0.74528300 0.17125600 0.95270300 1.0 Hf Hf2 1 0.25471700 0.67125600 0.54729700 1.0 Hf Hf3 1 0.25471700 0.32874400 0.45270300 1.0 Hf Hf4 1 0.25471700 0.17125600 0.95270300 1.0 Hf Hf5 1 0.25471700 0.82874400 0.04729700 1.0 Hf Hf6 1 0.74528300 0.32874400 0.45270300 1.0 Hf Hf7 1 0.74528300 0.67125600 0.54729700 1.0 Hf Hf8 1 0.50000000 0.83429200 0.32134200 1.0 Hf Hf9 1 0.50000000 0.16570800 0.67865800 1.0 Hf Hf10 1 0.50000000 0.66570800 0.82134200 1.0 Hf Hf11 1 0.50000000 0.33429200 0.17865800 1.0 Cr Cr12 1 0.74878400 0.58517200 0.24757200 1.0 Cr Cr13 1 0.74878400 0.41482800 0.75242800 1.0 Cr Cr14 1 0.25121600 0.91482800 0.74757200 1.0 Cr Cr15 1 0.25121600 0.08517200 0.25242800 1.0 Cr Cr16 1 0.25121600 0.41482800 0.75242800 1.0 Cr Cr17 1 0.25121600 0.58517200 0.24757200 1.0 Cr Cr18 1 0.74878400 0.08517200 0.25242800 1.0 Cr Cr19 1 0.74878400 0.91482800 0.74757200 1.0 Cr Cr20 1 0.74345100 0.00000000 0.50000000 1.0 Cr Cr21 1 0.25654900 0.50000000 0.00000000 1.0 Cr Cr22 1 0.25654900 0.00000000 0.50000000 1.0 Cr Cr23 1 0.74345100 0.50000000 0.00000000 1.0 Ge Ge24 1 0.84251800 0.83490500 0.31787700 1.0 Ge Ge25 1 0.84251800 0.16509500 0.68212300 1.0 Ge Ge26 1 0.15748200 0.66509500 0.81787700 1.0 Ge Ge27 1 0.15748200 0.33490500 0.18212300 1.0 Ge Ge28 1 0.15748200 0.16509500 0.68212300 1.0 Ge Ge29 1 0.15748200 0.83490500 0.31787700 1.0 Ge Ge30 1 0.84251800 0.33490500 0.18212300 1.0 Ge Ge31 1 0.84251800 0.66509500 0.81787700 1.0 Ge Ge32 1 0.50000000 0.54082900 0.37863700 1.0 Ge Ge33 1 0.50000000 0.45917100 0.62136300 1.0 Ge Ge34 1 0.50000000 0.95917100 0.87863700 1.0 Ge Ge35 1 0.50000000 0.04082900 0.12136300 1.0 Ge Ge36 1 0.00000000 0.54778700 0.37770800 1.0 Ge Ge37 1 0.00000000 0.45221300 0.62229200 1.0 Ge Ge38 1 0.00000000 0.95221300 0.87770800 1.0 Ge Ge39 1 0.00000000 0.04778700 0.12229200 1.0 Ge Ge40 1 0.50000000 0.63401200 0.10132600 1.0 Ge Ge41 1 0.50000000 0.36598800 0.89867400 1.0 Ge Ge42 1 0.50000000 0.86598800 0.60132600 1.0 Ge Ge43 1 0.50000000 0.13401200 0.39867400 1.0 Ge Ge44 1 0.00000000 0.62704100 0.09689700 1.0 Ge Ge45 1 0.00000000 0.37295900 0.90310300 1.0 Ge Ge46 1 0.00000000 0.87295900 0.59689700 1.0 Ge Ge47 1 0.00000000 0.12704100 0.40310300 1.0