# generated using pymatgen data_Hf2Ta3(GaSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68732178 _cell_length_b 6.82601937 _cell_length_c 13.22923424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ta3(GaSi)2 _chemical_formula_sum 'Hf8 Ta12 Ga8 Si8' _cell_volume 603.88528101 _cell_formula_units_Z 4 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 0.49446180 0.67118699 0.59946889 1.0 Hf Hf1 1 0.99446180 0.82881301 0.90053111 1.0 Hf Hf2 1 0.50553820 0.32881301 0.09946889 1.0 Hf Hf3 1 0.00553820 0.17118699 0.40053111 1.0 Hf Hf4 1 0.50553820 0.32881301 0.40053111 1.0 Hf Hf5 1 0.00553820 0.17118699 0.09946889 1.0 Hf Hf6 1 0.49446180 0.67118699 0.90053111 1.0 Hf Hf7 1 0.99446180 0.82881301 0.59946889 1.0 Ta Ta8 1 0.65885665 0.17499000 0.62840787 1.0 Ta Ta9 1 0.15885665 0.32501000 0.87159213 1.0 Ta Ta10 1 0.34114335 0.82501000 0.12840787 1.0 Ta Ta11 1 0.84114335 0.67499000 0.37159213 1.0 Ta Ta12 1 0.34114335 0.82501000 0.37159213 1.0 Ta Ta13 1 0.84114335 0.67499000 0.12840787 1.0 Ta Ta14 1 0.65885665 0.17499000 0.87159213 1.0 Ta Ta15 1 0.15885665 0.32501000 0.62840787 1.0 Ta Ta16 1 0.83162114 0.49451126 0.75000000 1.0 Ta Ta17 1 0.33162114 0.00548874 0.75000000 1.0 Ta Ta18 1 0.16837886 0.50548874 0.25000000 1.0 Ta Ta19 1 0.66837886 0.99451126 0.25000000 1.0 Ga Ga20 1 0.67643738 0.96540421 0.46447405 1.0 Ga Ga21 1 0.17643738 0.53459579 0.03552595 1.0 Ga Ga22 1 0.32356262 0.03459579 0.96447405 1.0 Ga Ga23 1 0.82356262 0.46540421 0.53552595 1.0 Ga Ga24 1 0.32356262 0.03459579 0.53552595 1.0 Ga Ga25 1 0.82356262 0.46540421 0.96447405 1.0 Ga Ga26 1 0.67643738 0.96540421 0.03552595 1.0 Ga Ga27 1 0.17643738 0.53459579 0.46447405 1.0 Si Si28 1 0.45540142 0.38786225 0.75000000 1.0 Si Si29 1 0.95540142 0.11213775 0.75000000 1.0 Si Si30 1 0.54459858 0.61213775 0.25000000 1.0 Si Si31 1 0.04459858 0.88786225 0.25000000 1.0 Si Si32 1 0.69778475 0.86330990 0.75000000 1.0 Si Si33 1 0.19778475 0.63669010 0.75000000 1.0 Si Si34 1 0.30221525 0.13669010 0.25000000 1.0 Si Si35 1 0.80221525 0.36330990 0.25000000 1.0