# generated using pymatgen data_Sc8Ga3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43714858 _cell_length_b 9.43707179 _cell_length_c 6.37656912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00002518 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ga3Ru _chemical_formula_sum 'Sc16 Ga6 Ru2' _cell_volume 491.80806299 _cell_formula_units_Z 2 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 0.17209871 0.82789887 0.50087192 1.0 Sc Sc1 1 0.65580077 0.82789939 0.50087216 1.0 Sc Sc2 1 0.17210471 0.34420384 0.50087192 1.0 Sc Sc3 1 0.82790129 0.17210113 0.00087192 1.0 Sc Sc4 1 0.34419923 0.17210061 0.00087216 1.0 Sc Sc5 1 0.82789529 0.65579616 0.00087192 1.0 Sc Sc6 1 0.33333239 0.66666719 0.84704081 1.0 Sc Sc7 1 0.66666761 0.33333281 0.34704081 1.0 Sc Sc8 1 0.47136289 0.52863691 0.20842487 1.0 Sc Sc9 1 0.05727387 0.52863643 0.20843001 1.0 Sc Sc10 1 0.47136289 0.94272298 0.20842887 1.0 Sc Sc11 1 0.52863711 0.47136309 0.70842487 1.0 Sc Sc12 1 0.94272613 0.47136357 0.70843001 1.0 Sc Sc13 1 0.52863711 0.05727702 0.70842887 1.0 Sc Sc14 1 0.99999840 0.99999970 0.22673337 1.0 Sc Sc15 1 0.00000160 0.00000030 0.72673337 1.0 Ga Ga16 1 0.16339828 0.83659473 0.96529392 1.0 Ga Ga17 1 0.67319216 0.83659508 0.96529028 1.0 Ga Ga18 1 0.16340328 0.32680855 0.96528992 1.0 Ga Ga19 1 0.83660172 0.16340527 0.46529392 1.0 Ga Ga20 1 0.32680784 0.16340492 0.46529028 1.0 Ga Ga21 1 0.83659672 0.67319145 0.46528992 1.0 Ru Ru22 1 0.33333482 0.66666791 0.43987296 1.0 Ru Ru23 1 0.66666518 0.33333209 0.93987296 1.0