# generated using pymatgen data_Ca12Ga12Ru3Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80282286 _cell_length_b 8.15737562 _cell_length_c 14.76130364 _cell_angle_alpha 90.03128644 _cell_angle_beta 89.66550420 _cell_angle_gamma 90.05702696 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca12Ga12Ru3Rh5 _chemical_formula_sum 'Ca12 Ga12 Ru3 Rh5' _cell_volume 698.72584610 _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 Ca Ca0 1 0.88568841 0.45127358 0.10800673 1.0 Ca Ca1 1 0.38818635 0.04905591 0.89187293 1.0 Ca Ca2 1 0.61232570 0.95163012 0.39158023 1.0 Ca Ca3 1 0.11634756 0.54920458 0.60829130 1.0 Ca Ca4 1 0.11423161 0.55177688 0.89249313 1.0 Ca Ca5 1 0.61177080 0.94759920 0.10733428 1.0 Ca Ca6 1 0.38721951 0.05072614 0.60807659 1.0 Ca Ca7 1 0.88545855 0.44753963 0.39151091 1.0 Ca Ca8 1 0.38805503 0.29627869 0.24826450 1.0 Ca Ca9 1 0.89063523 0.20376199 0.75181690 1.0 Ca Ca10 1 0.10846350 0.79686697 0.25090262 1.0 Ca Ca11 1 0.61467524 0.70276047 0.74906387 1.0 Ga Ga12 1 0.93157365 0.14030050 0.24990002 1.0 Ga Ga13 1 0.43486665 0.35966021 0.74933228 1.0 Ga Ga14 1 0.56272607 0.64010476 0.25027358 1.0 Ga Ga15 1 0.07128038 0.86090100 0.75187924 1.0 Ga Ga16 1 0.36518284 0.31320388 0.03768783 1.0 Ga Ga17 1 0.86703579 0.18773090 0.96189511 1.0 Ga Ga18 1 0.13059546 0.81545980 0.46055549 1.0 Ga Ga19 1 0.63496328 0.68430963 0.53838373 1.0 Ga Ga20 1 0.63154158 0.67892936 0.95759894 1.0 Ga Ga21 1 0.13105513 0.82016827 0.04250572 1.0 Ga Ga22 1 0.87415221 0.18068339 0.54198305 1.0 Ga Ga23 1 0.36589741 0.32058003 0.45778675 1.0 Ru Ru24 1 0.09337733 0.10514523 0.09568759 1.0 Ru Ru25 1 0.59626921 0.39423751 0.90363199 1.0 Ru Ru26 1 0.40374893 0.60697819 0.40570778 1.0 Rh Rh27 1 0.90110583 0.89541844 0.59739951 1.0 Rh Rh28 1 0.90035170 0.89790746 0.90679805 1.0 Rh Rh29 1 0.39782813 0.60229573 0.09375845 1.0 Rh Rh30 1 0.60248276 0.39540085 0.59226178 1.0 Rh Rh31 1 0.10090521 0.10211267 0.40576010 1.0