# generated using pymatgen data_Zr8Ti12Ga7Ge9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82361764 _cell_length_b 6.94747628 _cell_length_c 13.10278341 _cell_angle_alpha 90.04160583 _cell_angle_beta 90.11280386 _cell_angle_gamma 89.99038338 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ti12Ga7Ge9 _chemical_formula_sum 'Zr8 Ti12 Ga7 Ge9' _cell_volume 621.16125079 _cell_formula_units_Z 1 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 0.49322884 0.67348961 0.09450451 1.0 Zr Zr1 1 0.99383286 0.82607207 0.40557673 1.0 Zr Zr2 1 0.50540160 0.32642269 0.59433330 1.0 Zr Zr3 1 0.00486524 0.17716160 0.90713261 1.0 Zr Zr4 1 0.50458074 0.32629944 0.90614547 1.0 Zr Zr5 1 0.00108780 0.17302804 0.59437368 1.0 Zr Zr6 1 0.49947342 0.67284263 0.40504588 1.0 Zr Zr7 1 0.99785434 0.82300311 0.09413804 1.0 Ti Ti8 1 0.33230951 0.00632039 0.24897420 1.0 Ti Ti9 1 0.83219660 0.49286081 0.24959927 1.0 Ti Ti10 1 0.66737400 0.99365680 0.74903867 1.0 Ti Ti11 1 0.16751998 0.50792054 0.75166982 1.0 Ti Ti12 1 0.65462096 0.17003135 0.12788041 1.0 Ti Ti13 1 0.15385233 0.32873083 0.37133590 1.0 Ti Ti14 1 0.34520435 0.82961907 0.62917113 1.0 Ti Ti15 1 0.84728799 0.66850958 0.87301623 1.0 Ti Ti16 1 0.34424834 0.83122736 0.87194507 1.0 Ti Ti17 1 0.84362412 0.67149802 0.62781866 1.0 Ti Ti18 1 0.65679235 0.17063779 0.37179882 1.0 Ti Ti19 1 0.15361951 0.33062848 0.12691297 1.0 Ga Ga20 1 0.69374797 0.85539515 0.24911261 1.0 Ga Ga21 1 0.19418189 0.64440188 0.25128480 1.0 Ga Ga22 1 0.30503684 0.14594548 0.74956426 1.0 Ga Ga23 1 0.80655587 0.35557929 0.75014210 1.0 Ga Ga24 1 0.67871934 0.95919133 0.95859218 1.0 Ga Ga25 1 0.17889873 0.54070553 0.54079954 1.0 Ga Ga26 1 0.32155543 0.03989548 0.45894794 1.0 Ge Ge27 1 0.81757442 0.45929230 0.04141503 1.0 Ge Ge28 1 0.32478359 0.04029102 0.04047629 1.0 Ge Ge29 1 0.82622446 0.45958779 0.45970826 1.0 Ge Ge30 1 0.67334432 0.95978860 0.54003485 1.0 Ge Ge31 1 0.18127630 0.54153763 0.95894330 1.0 Ge Ge32 1 0.45637314 0.38156220 0.24996897 1.0 Ge Ge33 1 0.95805171 0.11622544 0.24939979 1.0 Ge Ge34 1 0.54327491 0.61751216 0.75066007 1.0 Ge Ge35 1 0.04142521 0.88312953 0.75053863 1.0