# generated using pymatgen data_Sc12Re3Si12Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90089121 _cell_length_b 10.49230263 _cell_length_c 11.79765059 _cell_angle_alpha 90.07037623 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc12Re3Si12Os _chemical_formula_sum 'Sc12 Re3 Si12 Os1' _cell_volume 482.86958308 _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 0.87673103 0.01696923 1.0 Sc Sc1 1 0.25000000 0.62407071 0.51714392 1.0 Sc Sc2 1 0.75000000 0.12255235 0.98313933 1.0 Sc Sc3 1 0.75000000 0.37735717 0.48400357 1.0 Sc Sc4 1 0.25000000 0.92399814 0.60692201 1.0 Sc Sc5 1 0.25000000 0.57642782 0.10759902 1.0 Sc Sc6 1 0.75000000 0.07633753 0.39185532 1.0 Sc Sc7 1 0.75000000 0.42342541 0.89088823 1.0 Sc Sc8 1 0.25000000 0.66299995 0.79782730 1.0 Sc Sc9 1 0.25000000 0.83806774 0.29811046 1.0 Sc Sc10 1 0.75000000 0.33871814 0.20168869 1.0 Sc Sc11 1 0.75000000 0.15799769 0.70226482 1.0 Re Re12 1 0.25000000 0.38613414 0.67821149 1.0 Re Re13 1 0.25000000 0.11440698 0.17718329 1.0 Re Re14 1 0.75000000 0.61515899 0.32256138 1.0 Si Si15 1 0.25000000 0.01616958 0.82313704 1.0 Si Si16 1 0.25000000 0.47863184 0.32337239 1.0 Si Si17 1 0.75000000 0.97810925 0.17708039 1.0 Si Si18 1 0.75000000 0.52299059 0.67733864 1.0 Si Si19 1 0.25000000 0.24895094 0.84513732 1.0 Si Si20 1 0.25000000 0.24880230 0.34604503 1.0 Si Si21 1 0.75000000 0.74869193 0.15385486 1.0 Si Si22 1 0.75000000 0.75358302 0.65618463 1.0 Si Si23 1 0.25000000 0.19233368 0.54352563 1.0 Si Si24 1 0.25000000 0.30785099 0.04240387 1.0 Si Si25 1 0.75000000 0.80896249 0.45724207 1.0 Si Si26 1 0.75000000 0.69416887 0.95537101 1.0 Os Os27 1 0.75000000 0.88637374 0.82294005 1.0