# generated using pymatgen data_Sc4Co7Si12Ir13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75865734 _cell_length_b 10.70410733 _cell_length_c 12.25572845 _cell_angle_alpha 90.14281805 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Co7Si12Ir13 _chemical_formula_sum 'Sc4 Co7 Si12 Ir13' _cell_volume 493.08406835 _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 0.25000000 0.58320417 0.70952739 1.0 Sc Sc1 1 0.25000000 0.91579536 0.20732866 1.0 Sc Sc2 1 0.75000000 0.41710165 0.29259971 1.0 Sc Sc3 1 0.75000000 0.08368201 0.79425503 1.0 Co Co4 1 0.25000000 0.61163961 0.19628331 1.0 Co Co5 1 0.75000000 0.11382919 0.30311987 1.0 Co Co6 1 0.75000000 0.38526236 0.80447636 1.0 Co Co7 1 0.25000000 0.46430604 0.93429740 1.0 Co Co8 1 0.25000000 0.03462985 0.42933269 1.0 Co Co9 1 0.75000000 0.53185853 0.06782652 1.0 Co Co10 1 0.75000000 0.96765749 0.56087806 1.0 Si Si11 1 0.25000000 0.42437694 0.11351648 1.0 Si Si12 1 0.25000000 0.08312614 0.60638939 1.0 Si Si13 1 0.75000000 0.57068031 0.88875803 1.0 Si Si14 1 0.75000000 0.92499070 0.38361838 1.0 Si Si15 1 0.25000000 0.27094356 0.87225379 1.0 Si Si16 1 0.25000000 0.22943643 0.37110996 1.0 Si Si17 1 0.75000000 0.72585774 0.12872822 1.0 Si Si18 1 0.75000000 0.77169856 0.62789549 1.0 Si Si19 1 0.25000000 0.59843607 0.38263100 1.0 Si Si20 1 0.25000000 0.89992949 0.89004396 1.0 Si Si21 1 0.75000000 0.40287284 0.61678441 1.0 Si Si22 1 0.75000000 0.09898978 0.11757103 1.0 Ir Ir23 1 0.25000000 0.70251787 0.99167745 1.0 Ir Ir24 1 0.25000000 0.79613578 0.48367630 1.0 Ir Ir25 1 0.75000000 0.29427550 0.01032365 1.0 Ir Ir26 1 0.75000000 0.20685216 0.50903969 1.0 Ir Ir27 1 0.25000000 0.40784295 0.48348674 1.0 Ir Ir28 1 0.25000000 0.09354601 0.98567799 1.0 Ir Ir29 1 0.75000000 0.59455178 0.51634804 1.0 Ir Ir30 1 0.75000000 0.90548537 0.01823982 1.0 Ir Ir31 1 0.25000000 0.22323773 0.18213930 1.0 Ir Ir32 1 0.25000000 0.28037481 0.68215266 1.0 Ir Ir33 1 0.75000000 0.77079626 0.82253417 1.0 Ir Ir34 1 0.75000000 0.72141499 0.31755664 1.0 Ir Ir35 1 0.25000000 0.89266598 0.69792042 1.0