# generated using pymatgen data_Pr3IrO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68385117 _cell_length_b 6.68385117 _cell_length_c 7.57392503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.36694145 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3IrO7 _chemical_formula_sum 'Pr6 Ir2 O14' _cell_volume 312.90051641 _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 Pr Pr0 1 -0.00000000 0.00000000 0.00000000 1.0 Pr Pr1 1 -0.00000000 0.00000000 0.50000000 1.0 Pr Pr2 1 0.46933466 0.91035347 0.75000000 1.0 Pr Pr3 1 0.53066534 0.08964653 0.25000000 1.0 Pr Pr4 1 0.91035347 0.46933466 0.75000000 1.0 Pr Pr5 1 0.08964653 0.53066534 0.25000000 1.0 Ir Ir6 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir7 1 0.50000000 0.50000000 0.50000000 1.0 O O8 1 0.59313794 0.59313794 0.75000000 1.0 O O9 1 0.40686206 0.40686206 0.25000000 1.0 O O10 1 0.84176331 0.10372806 0.75000000 1.0 O O11 1 0.15823669 0.89627194 0.25000000 1.0 O O12 1 0.10372806 0.84176331 0.75000000 1.0 O O13 1 0.89627194 0.15823669 0.25000000 1.0 O O14 1 0.44326874 0.19119839 0.95829542 1.0 O O15 1 0.55673126 0.80880161 0.45829542 1.0 O O16 1 0.19119839 0.44326874 0.95829542 1.0 O O17 1 0.80880161 0.55673126 0.45829542 1.0 O O18 1 0.44326874 0.19119839 0.54170458 1.0 O O19 1 0.55673126 0.80880161 0.04170458 1.0 O O20 1 0.80880161 0.55673126 0.04170458 1.0 O O21 1 0.19119839 0.44326874 0.54170458 1.0