# generated using pymatgen data_Zr2Ti3Ge4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79857282 _cell_length_b 6.90943215 _cell_length_c 13.07483562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ti3Ge4 _chemical_formula_sum 'Zr8 Ti12 Ge16' _cell_volume 614.18095820 _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 Zr Zr0 1 0.49090674 0.67522493 0.09484016 1.0 Zr Zr1 1 0.99090674 0.82477507 0.40515984 1.0 Zr Zr2 1 0.50909326 0.32477507 0.59484016 1.0 Zr Zr3 1 0.00909326 0.17522493 0.90515984 1.0 Zr Zr4 1 0.50909326 0.32477507 0.90515984 1.0 Zr Zr5 1 0.00909326 0.17522493 0.59484016 1.0 Zr Zr6 1 0.49090674 0.67522493 0.40515984 1.0 Zr Zr7 1 0.99090674 0.82477507 0.09484016 1.0 Ti Ti8 1 0.32933465 0.00348793 0.25000000 1.0 Ti Ti9 1 0.82933465 0.49651207 0.25000000 1.0 Ti Ti10 1 0.67066535 0.99651207 0.75000000 1.0 Ti Ti11 1 0.17066535 0.50348793 0.75000000 1.0 Ti Ti12 1 0.65594387 0.16663313 0.12578879 1.0 Ti Ti13 1 0.15594387 0.33336687 0.37421121 1.0 Ti Ti14 1 0.34405613 0.83336687 0.62578879 1.0 Ti Ti15 1 0.84405613 0.66663313 0.87421121 1.0 Ti Ti16 1 0.34405613 0.83336687 0.87421121 1.0 Ti Ti17 1 0.84405613 0.66663313 0.62578879 1.0 Ti Ti18 1 0.65594387 0.16663313 0.37421121 1.0 Ti Ti19 1 0.15594387 0.33336687 0.12578879 1.0 Ge Ge20 1 0.68930804 0.85831552 0.25000000 1.0 Ge Ge21 1 0.18930804 0.64168448 0.25000000 1.0 Ge Ge22 1 0.31069196 0.14168448 0.75000000 1.0 Ge Ge23 1 0.81069196 0.35831552 0.75000000 1.0 Ge Ge24 1 0.68251128 0.95837784 0.95906989 1.0 Ge Ge25 1 0.18251128 0.54162216 0.54093011 1.0 Ge Ge26 1 0.31748872 0.04162216 0.45906989 1.0 Ge Ge27 1 0.81748872 0.45837784 0.04093011 1.0 Ge Ge28 1 0.31748872 0.04162216 0.04093011 1.0 Ge Ge29 1 0.81748872 0.45837784 0.45906989 1.0 Ge Ge30 1 0.68251128 0.95837784 0.54093011 1.0 Ge Ge31 1 0.18251128 0.54162216 0.95906989 1.0 Ge Ge32 1 0.45795726 0.37694454 0.25000000 1.0 Ge Ge33 1 0.95795726 0.12305546 0.25000000 1.0 Ge Ge34 1 0.54204274 0.62305546 0.75000000 1.0 Ge Ge35 1 0.04204274 0.87694454 0.75000000 1.0