# generated using pymatgen data_Sc5V3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55437649 _cell_length_b 12.55437542 _cell_length_c 3.86167982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000022 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5V3(P3Ir4)4 _chemical_formula_sum 'Sc5 V3 P12 Ir16' _cell_volume 527.10502186 _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 Sc Sc0 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81332827 1.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81332827 0.50000000 1.0 Sc Sc4 1 0.18667173 0.18667173 0.50000000 1.0 V V5 1 0.44911175 0.00000000 0.00000000 1.0 V V6 1 1.00000000 0.44911175 0.00000000 1.0 V V7 1 0.55088825 0.55088825 0.00000000 1.0 P P8 1 0.17462518 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17462518 0.00000000 1.0 P P10 1 0.82537482 0.82537482 0.00000000 1.0 P P11 1 0.16972752 0.48408687 0.50000000 1.0 P P12 1 0.51591313 0.68563965 0.50000000 1.0 P P13 1 0.31436035 0.83027248 0.50000000 1.0 P P14 1 0.68563965 0.51591313 0.50000000 1.0 P P15 1 0.83027248 0.31436035 0.50000000 1.0 P P16 1 0.48408687 0.16972752 0.50000000 1.0 P P17 1 0.64061230 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.64061230 0.00000000 1.0 P P19 1 0.35938770 0.35938770 0.00000000 1.0 Ir Ir20 1 0.35943777 0.49303020 0.50000000 1.0 Ir Ir21 1 0.50696980 0.86640757 0.50000000 1.0 Ir Ir22 1 0.13359243 0.64056223 0.50000000 1.0 Ir Ir23 1 0.86640757 0.50696980 0.50000000 1.0 Ir Ir24 1 0.64056223 0.13359243 0.50000000 1.0 Ir Ir25 1 0.49303020 0.35943777 0.50000000 1.0 Ir Ir26 1 0.17933623 0.37072922 0.00000000 1.0 Ir Ir27 1 0.62927078 0.80860801 0.00000000 1.0 Ir Ir28 1 0.19139199 0.82066377 0.00000000 1.0 Ir Ir29 1 0.80860801 0.62927078 0.00000000 1.0 Ir Ir30 1 0.82066377 0.19139199 0.00000000 1.0 Ir Ir31 1 0.37072922 0.17933623 0.00000000 1.0 Ir Ir32 1 0.28422512 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28422512 0.50000000 1.0 Ir Ir34 1 0.71577488 0.71577488 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0