# generated using pymatgen data_Y3Ti(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96944732 _cell_length_b 11.12103511 _cell_length_c 12.76917225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Ti(P3Ir4)2 _chemical_formula_sum 'Y6 Ti2 P12 Ir16' _cell_volume 563.68697596 _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 Y Y0 1 0.00000000 0.50000000 0.52048227 1.0 Y Y1 1 0.50000000 0.00000000 0.47951773 1.0 Y Y2 1 0.50000000 0.81997740 0.20400619 1.0 Y Y3 1 0.50000000 0.18002260 0.20400619 1.0 Y Y4 1 0.00000000 0.68002260 0.79599381 1.0 Y Y5 1 0.00000000 0.31997740 0.79599381 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15749066 1.0 Ti Ti7 1 0.00000000 0.00000000 0.84250934 1.0 P P8 1 0.50000000 0.50000000 0.87640047 1.0 P P9 1 0.00000000 0.00000000 0.12359953 1.0 P P10 1 0.50000000 0.50000000 0.35105634 1.0 P P11 1 0.00000000 0.00000000 0.64894366 1.0 P P12 1 0.50000000 0.31358892 0.61732052 1.0 P P13 1 0.50000000 0.68641108 0.61732052 1.0 P P14 1 0.00000000 0.18641108 0.38267948 1.0 P P15 1 0.00000000 0.81358892 0.38267948 1.0 P P16 1 0.50000000 0.84447848 0.88692968 1.0 P P17 1 0.50000000 0.15552152 0.88692968 1.0 P P18 1 0.00000000 0.65552152 0.11307032 1.0 P P19 1 0.00000000 0.34447848 0.11307032 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69786051 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30213949 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99456172 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00543828 1.0 Ir Ir24 1 0.50000000 0.33110369 0.98181060 1.0 Ir Ir25 1 0.50000000 0.66889631 0.98181060 1.0 Ir Ir26 1 0.00000000 0.16889631 0.01818940 1.0 Ir Ir27 1 0.00000000 0.83110369 0.01818940 1.0 Ir Ir28 1 0.50000000 0.29684145 0.43227980 1.0 Ir Ir29 1 0.50000000 0.70315855 0.43227980 1.0 Ir Ir30 1 0.00000000 0.20315855 0.56772020 1.0 Ir Ir31 1 0.00000000 0.79684145 0.56772020 1.0 Ir Ir32 1 0.50000000 0.87253732 0.71007089 1.0 Ir Ir33 1 0.50000000 0.12746268 0.71007089 1.0 Ir Ir34 1 0.00000000 0.62746268 0.28992911 1.0 Ir Ir35 1 0.00000000 0.37253732 0.28992911 1.0