# generated using pymatgen data_LiTb4Sc5Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00967865 _cell_length_b 7.41031556 _cell_length_c 14.07213397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.92488195 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTb4Sc5Si8 _chemical_formula_sum 'Li2 Tb8 Sc10 Si16' _cell_volume 730.96132509 _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 Li Li0 1 0.16157294 0.50526758 0.75000000 1.0 Li Li1 1 0.83842706 0.49473242 0.25000000 1.0 Tb Tb2 1 0.01058305 0.18341186 0.09866543 1.0 Tb Tb3 1 0.98941695 0.81658814 0.90133457 1.0 Tb Tb4 1 0.48435275 0.67451713 0.90232585 1.0 Tb Tb5 1 0.98941695 0.81658814 0.59866543 1.0 Tb Tb6 1 0.51564725 0.32548287 0.09767415 1.0 Tb Tb7 1 0.01058305 0.18341186 0.40133457 1.0 Tb Tb8 1 0.51564725 0.32548287 0.40232585 1.0 Tb Tb9 1 0.48435275 0.67451713 0.59767415 1.0 Sc Sc10 1 0.34071847 0.00286972 0.25000000 1.0 Sc Sc11 1 0.65928153 0.99713028 0.75000000 1.0 Sc Sc12 1 0.32517144 0.18278181 0.62560424 1.0 Sc Sc13 1 0.67482856 0.81721819 0.37439576 1.0 Sc Sc14 1 0.16422725 0.67521984 0.37326318 1.0 Sc Sc15 1 0.67482856 0.81721819 0.12560424 1.0 Sc Sc16 1 0.83577275 0.32478016 0.62673682 1.0 Sc Sc17 1 0.32517144 0.18278181 0.87439576 1.0 Sc Sc18 1 0.83577275 0.32478016 0.87326318 1.0 Sc Sc19 1 0.16422725 0.67521984 0.12673682 1.0 Si Si20 1 0.03044098 0.10251185 0.75000000 1.0 Si Si21 1 0.96955902 0.89748815 0.25000000 1.0 Si Si22 1 0.46307463 0.61524256 0.25000000 1.0 Si Si23 1 0.53692537 0.38475744 0.75000000 1.0 Si Si24 1 0.28705183 0.88296492 0.75000000 1.0 Si Si25 1 0.71294817 0.11703508 0.25000000 1.0 Si Si26 1 0.22407451 0.37379593 0.25000000 1.0 Si Si27 1 0.77592549 0.62620407 0.75000000 1.0 Si Si28 1 0.15865712 0.46229422 0.53314752 1.0 Si Si29 1 0.84134288 0.53770578 0.46685248 1.0 Si Si30 1 0.34469368 0.96689815 0.46117840 1.0 Si Si31 1 0.84134288 0.53770578 0.03314752 1.0 Si Si32 1 0.65530632 0.03310185 0.53882160 1.0 Si Si33 1 0.15865712 0.46229422 0.96685248 1.0 Si Si34 1 0.65530632 0.03310185 0.96117840 1.0 Si Si35 1 0.34469368 0.96689815 0.03882160 1.0