# generated using pymatgen data_Lu4ScSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81964243 _cell_length_b 9.01525080 _cell_length_c 11.49986274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4ScSb3 _chemical_formula_sum 'Lu16 Sc4 Sb12' _cell_volume 810.69475737 _cell_formula_units_Z 4 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 Lu Lu0 1 0.19761934 0.56285813 0.43956414 1.0 Lu Lu1 1 0.69761934 0.93714187 0.06043586 1.0 Lu Lu2 1 0.80238066 0.06285813 0.56043586 1.0 Lu Lu3 1 0.30238066 0.43714187 0.93956414 1.0 Lu Lu4 1 0.80238066 0.43714187 0.56043586 1.0 Lu Lu5 1 0.30238066 0.06285813 0.93956414 1.0 Lu Lu6 1 0.19761934 0.93714187 0.43956414 1.0 Lu Lu7 1 0.69761934 0.56285813 0.06043586 1.0 Lu Lu8 1 0.18487427 0.75000000 0.71973534 1.0 Lu Lu9 1 0.68487427 0.75000000 0.78026466 1.0 Lu Lu10 1 0.81512573 0.25000000 0.28026466 1.0 Lu Lu11 1 0.31512573 0.25000000 0.21973534 1.0 Lu Lu12 1 0.85747753 0.75000000 0.28534643 1.0 Lu Lu13 1 0.35747753 0.75000000 0.21465357 1.0 Lu Lu14 1 0.14252247 0.25000000 0.71465357 1.0 Lu Lu15 1 0.64252247 0.25000000 0.78534643 1.0 Sc Sc16 1 0.02750042 0.75000000 0.98844336 1.0 Sc Sc17 1 0.52750042 0.75000000 0.51155664 1.0 Sc Sc18 1 0.97249958 0.25000000 0.01155664 1.0 Sc Sc19 1 0.47249958 0.25000000 0.48844336 1.0 Sb Sb20 1 0.93323377 0.49653684 0.83005175 1.0 Sb Sb21 1 0.43323377 0.00346316 0.66994825 1.0 Sb Sb22 1 0.06676623 0.99653684 0.16994825 1.0 Sb Sb23 1 0.56676623 0.50346316 0.33005175 1.0 Sb Sb24 1 0.06676623 0.50346316 0.16994825 1.0 Sb Sb25 1 0.56676623 0.99653684 0.33005175 1.0 Sb Sb26 1 0.93323377 0.00346316 0.83005175 1.0 Sb Sb27 1 0.43323377 0.49653684 0.66994825 1.0 Sb Sb28 1 0.90801997 0.75000000 0.54060188 1.0 Sb Sb29 1 0.40801997 0.75000000 0.95939812 1.0 Sb Sb30 1 0.09198003 0.25000000 0.45939812 1.0 Sb Sb31 1 0.59198003 0.25000000 0.04060188 1.0