# generated using pymatgen data_Sc44Os7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.68609449 _cell_length_b 14.68609449 _cell_length_c 14.68609449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc44Os7 _chemical_formula_sum 'Sc88 Os14' _cell_volume 2239.77274803 _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 0.99787700 0.42487800 0.78862300 1.0 Sc Sc1 1 0.50884100 0.16372000 0.16372000 1.0 Sc Sc2 1 0.87915600 0.51455500 0.09173500 1.0 Sc Sc3 1 0.64306700 0.85693300 0.64306700 1.0 Sc Sc4 1 0.85693300 0.64306700 0.85693300 1.0 Sc Sc5 1 0.30895300 0.30895300 0.07314000 1.0 Sc Sc6 1 0.51455500 0.87915600 0.51455500 1.0 Sc Sc7 1 0.99787700 0.78862300 0.78862300 1.0 Sc Sc8 1 0.87915600 0.09173500 0.51455500 1.0 Sc Sc9 1 0.02150800 0.02150800 0.29817800 1.0 Sc Sc10 1 0.53708900 0.28476000 0.89339100 1.0 Sc Sc11 1 0.44052300 0.44052300 0.44052300 1.0 Sc Sc12 1 0.29817800 0.02150800 0.65880600 1.0 Sc Sc13 1 0.02150800 0.65880600 0.29817800 1.0 Sc Sc14 1 0.28476000 0.53708900 0.89339100 1.0 Sc Sc15 1 0.66339100 0.66339100 0.22315000 1.0 Sc Sc16 1 0.81073200 0.18926800 0.18926800 1.0 Sc Sc17 1 0.78862300 0.99787700 0.42487800 1.0 Sc Sc18 1 0.44052300 0.44052300 0.67843200 1.0 Sc Sc19 1 0.22315000 0.66339100 0.66339100 1.0 Sc Sc20 1 0.65880600 0.02150800 0.02150800 1.0 Sc Sc21 1 0.65880600 0.29817800 0.02150800 1.0 Sc Sc22 1 0.51455500 0.09173500 0.51455500 1.0 Sc Sc23 1 0.16372000 0.16372000 0.16372000 1.0 Sc Sc24 1 0.18926800 0.18926800 0.81073200 1.0 Sc Sc25 1 0.02150800 0.65880600 0.02150800 1.0 Sc Sc26 1 0.81073200 0.81073200 0.18926800 1.0 Sc Sc27 1 0.78862300 0.78862300 0.99787700 1.0 Sc Sc28 1 0.64306700 0.64306700 0.85693300 1.0 Sc Sc29 1 0.89339100 0.53708900 0.28476000 1.0 Sc Sc30 1 0.85693300 0.85693300 0.64306700 1.0 Sc Sc31 1 0.28476000 0.89339100 0.28476000 1.0 Sc Sc32 1 0.28476000 0.28476000 0.53708900 1.0 Sc Sc33 1 0.07314000 0.30895300 0.30895300 1.0 Sc Sc34 1 0.09173500 0.87915600 0.51455500 1.0 Sc Sc35 1 0.78862300 0.42487800 0.78862300 1.0 Sc Sc36 1 0.51455500 0.51455500 0.09173500 1.0 Sc Sc37 1 0.45006700 0.22315000 0.66339100 1.0 Sc Sc38 1 0.18926800 0.81073200 0.81073200 1.0 Sc Sc39 1 0.02150800 0.29817800 0.02150800 1.0 Sc Sc40 1 0.51455500 0.51455500 0.87915600 1.0 Sc Sc41 1 0.78862300 0.78862300 0.42487800 1.0 Sc Sc42 1 0.05696300 0.05696300 0.82911100 1.0 Sc Sc43 1 0.22315000 0.66339100 0.45006700 1.0 Sc Sc44 1 0.09173500 0.51455500 0.87915600 1.0 Sc Sc45 1 0.67843200 0.44052300 0.44052300 1.0 Sc Sc46 1 0.45006700 0.66339100 0.22315000 1.0 Sc Sc47 1 0.28476000 0.53708900 0.28476000 1.0 Sc Sc48 1 0.42487800 0.78862300 0.78862300 1.0 Sc Sc49 1 0.30895300 0.07314000 0.30895300 1.0 Sc Sc50 1 0.42487800 0.78862300 0.99787700 1.0 Sc Sc51 1 0.42487800 0.99787700 0.78862300 1.0 Sc Sc52 1 0.09173500 0.51455500 0.51455500 1.0 Sc Sc53 1 0.89339100 0.28476000 0.53708900 1.0 Sc Sc54 1 0.66339100 0.45006700 0.66339100 1.0 Sc Sc55 1 0.53708900 0.28476000 0.28476000 1.0 Sc Sc56 1 0.51455500 0.87915600 0.09173500 1.0 Sc Sc57 1 0.16372000 0.50884100 0.16372000 1.0 Sc Sc58 1 0.64306700 0.85693300 0.85693300 1.0 Sc Sc59 1 0.89339100 0.28476000 0.28476000 1.0 Sc Sc60 1 0.02150800 0.02150800 0.65880600 1.0 Sc Sc61 1 0.66339100 0.22315000 0.66339100 1.0 Sc Sc62 1 0.81073200 0.18926800 0.81073200 1.0 Sc Sc63 1 0.66339100 0.22315000 0.45006700 1.0 Sc Sc64 1 0.53708900 0.89339100 0.28476000 1.0 Sc Sc65 1 0.05696300 0.82911100 0.05696300 1.0 Sc Sc66 1 0.44052300 0.67843200 0.44052300 1.0 Sc Sc67 1 0.87915600 0.51455500 0.51455500 1.0 Sc Sc68 1 0.66339100 0.66339100 0.45006700 1.0 Sc Sc69 1 0.05696300 0.05696300 0.05696300 1.0 Sc Sc70 1 0.18926800 0.81073200 0.18926800 1.0 Sc Sc71 1 0.29817800 0.65880600 0.02150800 1.0 Sc Sc72 1 0.82911100 0.05696300 0.05696300 1.0 Sc Sc73 1 0.45006700 0.66339100 0.66339100 1.0 Sc Sc74 1 0.28476000 0.28476000 0.89339100 1.0 Sc Sc75 1 0.22315000 0.45006700 0.66339100 1.0 Sc Sc76 1 0.28476000 0.89339100 0.53708900 1.0 Sc Sc77 1 0.78862300 0.99787700 0.78862300 1.0 Sc Sc78 1 0.78862300 0.42487800 0.99787700 1.0 Sc Sc79 1 0.51455500 0.09173500 0.87915600 1.0 Sc Sc80 1 0.65880600 0.02150800 0.29817800 1.0 Sc Sc81 1 0.02150800 0.29817800 0.65880600 1.0 Sc Sc82 1 0.66339100 0.45006700 0.22315000 1.0 Sc Sc83 1 0.29817800 0.02150800 0.02150800 1.0 Sc Sc84 1 0.16372000 0.16372000 0.50884100 1.0 Sc Sc85 1 0.99787700 0.78862300 0.42487800 1.0 Sc Sc86 1 0.30895300 0.30895300 0.30895300 1.0 Sc Sc87 1 0.85693300 0.64306700 0.64306700 1.0 Os Os88 1 0.09033100 0.09033100 0.40966900 1.0 Os Os89 1 0.91891800 0.24324700 0.91891800 1.0 Os Os90 1 0.09033100 0.40966900 0.40966900 1.0 Os Os91 1 0.40966900 0.40966900 0.09033100 1.0 Os Os92 1 0.91891800 0.91891800 0.24324700 1.0 Os Os93 1 0.65043900 0.65043900 0.04868300 1.0 Os Os94 1 0.65043900 0.04868300 0.65043900 1.0 Os Os95 1 0.09033100 0.40966900 0.09033100 1.0 Os Os96 1 0.04868300 0.65043900 0.65043900 1.0 Os Os97 1 0.24324700 0.91891800 0.91891800 1.0 Os Os98 1 0.65043900 0.65043900 0.65043900 1.0 Os Os99 1 0.40966900 0.09033100 0.09033100 1.0 Os Os100 1 0.40966900 0.09033100 0.40966900 1.0 Os Os101 1 0.91891800 0.91891800 0.91891800 1.0