# generated using pymatgen data_Zr5(Sc3Os2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49065656 _cell_length_b 9.49065670 _cell_length_c 9.48752674 _cell_angle_alpha 60.01090543 _cell_angle_beta 60.01090495 _cell_angle_gamma 59.89753580 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5(Sc3Os2)2 _chemical_formula_sum 'Zr10 Sc12 Os8' _cell_volume 603.89934457 _cell_formula_units_Z 2 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 0.84237259 0.84153558 0.84251896 1.0 Zr Zr1 1 0.52690057 0.15744616 0.15782613 1.0 Zr Zr2 1 0.15846442 0.15762741 0.52642614 1.0 Zr Zr3 1 0.15799490 0.52680783 0.15759864 1.0 Zr Zr4 1 0.84237259 0.84153558 0.47357386 1.0 Zr Zr5 1 0.84255384 0.47309943 0.84217387 1.0 Zr Zr6 1 0.47319217 0.84200510 0.84240136 1.0 Zr Zr7 1 0.15846442 0.15762741 0.15748104 1.0 Zr Zr8 1 0.19877671 0.80122329 0.19970093 1.0 Zr Zr9 1 0.19877671 0.80122329 0.80029907 1.0 Sc Sc10 1 0.80139375 0.19860625 0.19880693 1.0 Sc Sc11 1 0.80060325 0.80062748 0.19938513 1.0 Sc Sc12 1 0.19937252 0.19939675 0.80061487 1.0 Sc Sc13 1 0.80139375 0.19860625 0.80119307 1.0 Sc Sc14 1 0.38380032 0.38399874 0.38344081 1.0 Sc Sc15 1 0.15012221 0.61692944 0.61647517 1.0 Sc Sc16 1 0.61624358 0.15208801 0.61583520 1.0 Sc Sc17 1 0.61600126 0.61619968 0.15124087 1.0 Sc Sc18 1 0.38307056 0.84987779 0.38352483 1.0 Sc Sc19 1 0.38380032 0.38399874 0.84875913 1.0 Sc Sc20 1 0.84791199 0.38375642 0.38416480 1.0 Sc Sc21 1 0.61600126 0.61619968 0.61655919 1.0 Os Os22 1 0.49998573 0.50001427 0.00000000 1.0 Os Os23 1 0.00027973 0.99972027 0.50000000 1.0 Os Os24 1 0.49932482 0.00036436 0.49954602 1.0 Os Os25 1 0.99963564 0.50067518 0.50045398 1.0 Os Os26 1 0.49932482 0.00036436 0.00076479 1.0 Os Os27 1 0.99963564 0.50067518 0.99923521 1.0 Os Os28 1 0.49948457 0.50051543 0.50000000 1.0 Os Os29 1 0.00274136 0.99725864 1.00000000 1.0