# generated using pymatgen data_Zr6Ti16Ir5Os2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94403784 _cell_length_b 8.93944908 _cell_length_c 8.93944905 _cell_angle_alpha 60.07607740 _cell_angle_beta 59.98302287 _cell_angle_gamma 59.98302471 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ti16Ir5Os2 _chemical_formula_sum 'Zr6 Ti16 Ir5 Os2' _cell_volume 505.56570059 _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 0.68637159 0.68624809 0.31375191 1.0 Zr Zr1 1 0.31362841 0.68624809 0.31375191 1.0 Zr Zr2 1 0.68704388 0.31295612 0.31295612 1.0 Zr Zr3 1 0.31362841 0.31375191 0.68624809 1.0 Zr Zr4 1 0.68637159 0.31375191 0.68624809 1.0 Zr Zr5 1 0.31295612 0.68704388 0.68704388 1.0 Ti Ti6 1 0.88354691 0.88080357 0.35210360 1.0 Ti Ti7 1 0.88354691 0.35210360 0.88080357 1.0 Ti Ti8 1 0.35327354 0.88203369 0.88203369 1.0 Ti Ti9 1 0.88265909 0.88203369 0.88203369 1.0 Ti Ti10 1 0.11645309 0.11919643 0.64789640 1.0 Ti Ti11 1 0.11645309 0.64789640 0.11919643 1.0 Ti Ti12 1 0.64672646 0.11796631 0.11796631 1.0 Ti Ti13 1 0.11734091 0.11796631 0.11796631 1.0 Ti Ti14 1 0.66989286 0.66919953 0.99101275 1.0 Ti Ti15 1 0.66989286 0.99101275 0.66919953 1.0 Ti Ti16 1 0.99248840 0.66858778 0.66858778 1.0 Ti Ti17 1 0.67033303 0.66858778 0.66858778 1.0 Ti Ti18 1 0.33010714 0.33080047 0.00898725 1.0 Ti Ti19 1 0.33010714 0.00898725 0.33080047 1.0 Ti Ti20 1 0.00751160 0.33141222 0.33141222 1.0 Ti Ti21 1 0.32966697 0.33141222 0.33141222 1.0 Ir Ir22 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir23 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir26 1 0.50000000 0.00000000 0.00000000 1.0 Os Os27 1 0.00000000 0.00000000 0.00000000 1.0 Os Os28 1 0.00000000 0.50000000 0.50000000 1.0