# generated using pymatgen data_Y5Ti3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69217756 _cell_length_b 12.69217837 _cell_length_c 3.94061528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000046 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Ti3(P3Ir4)4 _chemical_formula_sum 'Y5 Ti3 P12 Ir16' _cell_volume 549.75219591 _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 Y Y0 1 0.33333300 0.66666700 0.50000000 1.0 Y Y1 1 0.66666700 0.33333300 0.50000000 1.0 Y Y2 1 1.00000000 0.81223982 0.00000000 1.0 Y Y3 1 0.18776018 0.18776018 0.00000000 1.0 Y Y4 1 0.81223982 0.00000000 0.00000000 1.0 Ti Ti5 1 1.00000000 0.44800367 0.50000000 1.0 Ti Ti6 1 0.55199633 0.55199633 0.50000000 1.0 Ti Ti7 1 0.44800367 0.00000000 0.50000000 1.0 P P8 1 1.00000000 0.63988845 0.50000000 1.0 P P9 1 0.36011155 0.36011155 0.50000000 1.0 P P10 1 0.63988845 0.00000000 0.50000000 1.0 P P11 1 0.51766158 0.68560632 0.00000000 1.0 P P12 1 0.31439368 0.83205726 0.00000000 1.0 P P13 1 0.16794274 0.48233842 0.00000000 1.0 P P14 1 0.48233842 0.16794274 0.00000000 1.0 P P15 1 0.68560632 0.51766158 0.00000000 1.0 P P16 1 0.83205726 0.31439368 0.00000000 1.0 P P17 1 0.00000000 0.17646375 0.50000000 1.0 P P18 1 0.82353625 0.82353625 0.50000000 1.0 P P19 1 0.17646375 1.00000000 0.50000000 1.0 Ir Ir20 1 0.50775998 0.86659360 0.00000000 1.0 Ir Ir21 1 0.13340640 0.64116838 0.00000000 1.0 Ir Ir22 1 0.35883162 0.49224002 0.00000000 1.0 Ir Ir23 1 0.49224002 0.35883162 0.00000000 1.0 Ir Ir24 1 0.86659360 0.50775998 0.00000000 1.0 Ir Ir25 1 0.64116838 0.13340640 0.00000000 1.0 Ir Ir26 1 1.00000000 0.28294681 0.00000000 1.0 Ir Ir27 1 0.71705319 0.71705319 0.00000000 1.0 Ir Ir28 1 0.28294681 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62688472 0.80547005 0.50000000 1.0 Ir Ir30 1 0.19452995 0.82141466 0.50000000 1.0 Ir Ir31 1 0.17858534 0.37311528 0.50000000 1.0 Ir Ir32 1 0.37311528 0.17858534 0.50000000 1.0 Ir Ir33 1 0.80547005 0.62688472 0.50000000 1.0 Ir Ir34 1 0.82141466 0.19452995 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0