# generated using pymatgen data_Sc5Mo3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.51319203 _cell_length_b 12.51319132 _cell_length_c 3.91695234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999929 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Mo3(P3Ir4)4 _chemical_formula_sum 'Sc5 Mo3 P12 Ir16' _cell_volume 531.14746824 _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 0.81476853 1.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81476853 0.50000000 1.0 Sc Sc4 1 0.18523147 0.18523147 0.50000000 1.0 Mo Mo5 1 0.45389881 1.00000000 0.00000000 1.0 Mo Mo6 1 0.00000000 0.45389881 0.00000000 1.0 Mo Mo7 1 0.54610119 0.54610119 0.00000000 1.0 P P8 1 0.17492557 1.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17492557 0.00000000 1.0 P P10 1 0.82507443 0.82507443 0.00000000 1.0 P P11 1 0.16882144 0.48455283 0.50000000 1.0 P P12 1 0.51544717 0.68426661 0.50000000 1.0 P P13 1 0.31573339 0.83117856 0.50000000 1.0 P P14 1 0.68426661 0.51544717 0.50000000 1.0 P P15 1 0.83117856 0.31573339 0.50000000 1.0 P P16 1 0.48455283 0.16882144 0.50000000 1.0 P P17 1 0.64094869 0.00000000 0.00000000 1.0 P P18 1 1.00000000 0.64094869 0.00000000 1.0 P P19 1 0.35905131 0.35905131 0.00000000 1.0 Ir Ir20 1 0.35673646 0.49264828 0.50000000 1.0 Ir Ir21 1 0.50735172 0.86408818 0.50000000 1.0 Ir Ir22 1 0.13591182 0.64326354 0.50000000 1.0 Ir Ir23 1 0.86408818 0.50735172 0.50000000 1.0 Ir Ir24 1 0.64326354 0.13591182 0.50000000 1.0 Ir Ir25 1 0.49264828 0.35673646 0.50000000 1.0 Ir Ir26 1 0.17899459 0.37121626 0.00000000 1.0 Ir Ir27 1 0.62878374 0.80777932 0.00000000 1.0 Ir Ir28 1 0.19222068 0.82100541 0.00000000 1.0 Ir Ir29 1 0.80777932 0.62878374 0.00000000 1.0 Ir Ir30 1 0.82100541 0.19222068 0.00000000 1.0 Ir Ir31 1 0.37121626 0.17899459 0.00000000 1.0 Ir Ir32 1 0.28516338 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28516338 0.50000000 1.0 Ir Ir34 1 0.71483662 0.71483662 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0