# generated using pymatgen data_HfCrGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54169200 _cell_length_b 9.09125500 _cell_length_c 9.99176800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrGa2 _chemical_formula_sum 'Hf12 Cr12 Ga24' _cell_volume 775.90774754 _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 0.47417700 0.16580000 0.95231300 1.0 Hf Hf1 1 0.02582300 0.33420000 0.45231300 1.0 Hf Hf2 1 0.97417700 0.83420000 0.04768700 1.0 Hf Hf3 1 0.52582300 0.66580000 0.54768700 1.0 Hf Hf4 1 0.52582300 0.83420000 0.04768700 1.0 Hf Hf5 1 0.97417700 0.66580000 0.54768700 1.0 Hf Hf6 1 0.02582300 0.16580000 0.95231300 1.0 Hf Hf7 1 0.47417700 0.33420000 0.45231300 1.0 Hf Hf8 1 0.25000000 0.16444500 0.67978800 1.0 Hf Hf9 1 0.25000000 0.33555500 0.17978800 1.0 Hf Hf10 1 0.75000000 0.83555500 0.32021200 1.0 Hf Hf11 1 0.75000000 0.66444500 0.82021200 1.0 Cr Cr12 1 0.50004100 0.42495200 0.75650600 1.0 Cr Cr13 1 0.99995900 0.07504800 0.25650600 1.0 Cr Cr14 1 0.00004100 0.57504800 0.24349400 1.0 Cr Cr15 1 0.49995900 0.92495200 0.74349400 1.0 Cr Cr16 1 0.49995900 0.57504800 0.24349400 1.0 Cr Cr17 1 0.00004100 0.92495200 0.74349400 1.0 Cr Cr18 1 0.99995900 0.42495200 0.75650600 1.0 Cr Cr19 1 0.50004100 0.07504800 0.25650600 1.0 Cr Cr20 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr21 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr22 1 0.50000000 0.00000000 0.50000000 1.0 Cr Cr23 1 0.00000000 0.50000000 0.00000000 1.0 Ga Ga24 1 0.92452800 0.17807300 0.67998600 1.0 Ga Ga25 1 0.57547200 0.32192700 0.17998600 1.0 Ga Ga26 1 0.42452800 0.82192700 0.32001400 1.0 Ga Ga27 1 0.07547200 0.67807300 0.82001400 1.0 Ga Ga28 1 0.07547200 0.82192700 0.32001400 1.0 Ga Ga29 1 0.42452800 0.67807300 0.82001400 1.0 Ga Ga30 1 0.57547200 0.17807300 0.67998600 1.0 Ga Ga31 1 0.92452800 0.32192700 0.17998600 1.0 Ga Ga32 1 0.25000000 0.56767500 0.38058300 1.0 Ga Ga33 1 0.25000000 0.93232500 0.88058300 1.0 Ga Ga34 1 0.75000000 0.43232500 0.61941700 1.0 Ga Ga35 1 0.75000000 0.06767500 0.11941700 1.0 Ga Ga36 1 0.25000000 0.48774800 0.62874900 1.0 Ga Ga37 1 0.25000000 0.01225200 0.12874900 1.0 Ga Ga38 1 0.75000000 0.51225200 0.37125100 1.0 Ga Ga39 1 0.75000000 0.98774800 0.87125100 1.0 Ga Ga40 1 0.25000000 0.64254500 0.09327200 1.0 Ga Ga41 1 0.25000000 0.85745500 0.59327200 1.0 Ga Ga42 1 0.75000000 0.35745500 0.90672800 1.0 Ga Ga43 1 0.75000000 0.14254500 0.40672800 1.0 Ga Ga44 1 0.25000000 0.38491800 0.89671600 1.0 Ga Ga45 1 0.25000000 0.11508200 0.39671600 1.0 Ga Ga46 1 0.75000000 0.61508200 0.10328400 1.0 Ga Ga47 1 0.75000000 0.88491800 0.60328400 1.0