# generated using pymatgen data_Zr5Ir3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04398348 _cell_length_b 8.04398401 _cell_length_c 5.48758726 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000582 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Ir3O _chemical_formula_sum 'Zr10 Ir6 O2' _cell_volume 307.50658060 _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 0.23868743 1.00000000 0.75000000 1.0 Zr Zr1 1 0.76131257 0.00000000 0.25000000 1.0 Zr Zr2 1 1.00000000 0.23868743 0.75000000 1.0 Zr Zr3 1 0.00000000 0.76131257 0.25000000 1.0 Zr Zr4 1 0.76131257 0.76131257 0.75000000 1.0 Zr Zr5 1 0.23868743 0.23868743 0.25000000 1.0 Zr Zr6 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr7 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr8 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr9 1 0.33333300 0.66666700 0.00000000 1.0 Ir Ir10 1 0.59504642 0.00000000 0.75000000 1.0 Ir Ir11 1 0.40495358 1.00000000 0.25000000 1.0 Ir Ir12 1 0.00000000 0.59504642 0.75000000 1.0 Ir Ir13 1 1.00000000 0.40495358 0.25000000 1.0 Ir Ir14 1 0.40495358 0.40495358 0.75000000 1.0 Ir Ir15 1 0.59504642 0.59504642 0.25000000 1.0 O O16 1 0.00000000 0.00000000 0.50000000 1.0 O O17 1 0.00000000 0.00000000 0.00000000 1.0