# generated using pymatgen data_Nd8Sc12Si9Ge7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27265779 _cell_length_b 7.55300860 _cell_length_c 14.23802945 _cell_angle_alpha 90.02099618 _cell_angle_beta 89.82651207 _cell_angle_gamma 89.96189724 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8Sc12Si9Ge7 _chemical_formula_sum 'Nd8 Sc12 Si9 Ge7' _cell_volume 782.09750840 _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 Nd Nd0 1 0.99434008 0.67596911 0.59894488 1.0 Nd Nd1 1 0.00592357 0.32423269 0.40111274 1.0 Nd Nd2 1 0.50544661 0.17581234 0.40110440 1.0 Nd Nd3 1 0.00818532 0.32561323 0.09854666 1.0 Nd Nd4 1 0.49459735 0.82458963 0.59912921 1.0 Nd Nd5 1 0.99367858 0.67454315 0.90173090 1.0 Nd Nd6 1 0.49312790 0.82493236 0.90111614 1.0 Nd Nd7 1 0.50604040 0.17514243 0.09892730 1.0 Sc Sc8 1 0.16932331 0.00225765 0.74983232 1.0 Sc Sc9 1 0.83066987 0.99764544 0.25008130 1.0 Sc Sc10 1 0.33063888 0.50222044 0.24889384 1.0 Sc Sc11 1 0.66921668 0.49783712 0.74985522 1.0 Sc Sc12 1 0.33714577 0.32766856 0.62602422 1.0 Sc Sc13 1 0.66268279 0.67243081 0.37418042 1.0 Sc Sc14 1 0.16267191 0.82733881 0.37427595 1.0 Sc Sc15 1 0.66314970 0.67361354 0.12601373 1.0 Sc Sc16 1 0.83706025 0.17235103 0.62598277 1.0 Sc Sc17 1 0.33513097 0.32701800 0.87412775 1.0 Sc Sc18 1 0.83577145 0.17356467 0.87448679 1.0 Sc Sc19 1 0.16521157 0.82502712 0.12503688 1.0 Si Si20 1 0.04054465 0.37692761 0.75039502 1.0 Si Si21 1 0.95872383 0.62318283 0.24972793 1.0 Si Si22 1 0.45834339 0.87682693 0.24992670 1.0 Si Si23 1 0.54145415 0.12367323 0.75039148 1.0 Si Si24 1 0.29333032 0.61911363 0.75006635 1.0 Si Si25 1 0.70704213 0.38114121 0.24985084 1.0 Si Si26 1 0.20642769 0.11816559 0.24969297 1.0 Si Si27 1 0.79378311 0.88112985 0.75039023 1.0 Si Si28 1 0.33895721 0.53852877 0.04034396 1.0 Ge Ge29 1 0.16860157 0.04084776 0.54149241 1.0 Ge Ge30 1 0.83122441 0.95937989 0.45864087 1.0 Ge Ge31 1 0.33168078 0.54081698 0.45871252 1.0 Ge Ge32 1 0.83353968 0.96021003 0.04117189 1.0 Ge Ge33 1 0.66832813 0.45934193 0.54139364 1.0 Ge Ge34 1 0.16645277 0.03986984 0.95861740 1.0 Ge Ge35 1 0.66155320 0.46103679 0.95978138 1.0