# generated using pymatgen data_Lu5Sc5(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.42077601 _cell_length_b 12.42077601 _cell_length_c 4.12287708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Sc5(Si5Ir2)4 _chemical_formula_sum 'Lu5 Sc5 Si20 Ir8' _cell_volume 636.05965235 _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 Lu Lu0 1 0.00000000 0.00000000 0.00000000 1.0 Lu Lu1 1 0.88444784 0.38509175 0.50000000 1.0 Lu Lu2 1 0.11555216 0.61490825 0.50000000 1.0 Lu Lu3 1 0.38509175 0.11555216 0.50000000 1.0 Lu Lu4 1 0.61490825 0.88444784 0.50000000 1.0 Sc Sc5 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc6 1 0.67264178 0.17368527 0.50000000 1.0 Sc Sc7 1 0.32735822 0.82631473 0.50000000 1.0 Sc Sc8 1 0.17368527 0.32735822 0.50000000 1.0 Sc Sc9 1 0.82631473 0.67264178 0.50000000 1.0 Si Si10 1 0.56620202 0.06710698 0.00000000 1.0 Si Si11 1 0.43379798 0.93289302 0.00000000 1.0 Si Si12 1 0.06710698 0.43379798 0.00000000 1.0 Si Si13 1 0.93289302 0.56620202 0.00000000 1.0 Si Si14 1 0.66650504 0.70002210 0.00000000 1.0 Si Si15 1 0.33349496 0.29997790 0.00000000 1.0 Si Si16 1 0.16672176 0.79975080 0.00000000 1.0 Si Si17 1 0.83327824 0.20024920 0.00000000 1.0 Si Si18 1 0.29997790 0.66650504 0.00000000 1.0 Si Si19 1 0.70002210 0.33349496 0.00000000 1.0 Si Si20 1 0.20024920 0.16672176 0.00000000 1.0 Si Si21 1 0.79975080 0.83327824 0.00000000 1.0 Si Si22 1 0.65103991 0.50710438 0.50000000 1.0 Si Si23 1 0.34896009 0.49289562 0.50000000 1.0 Si Si24 1 0.15467604 0.99332061 0.50000000 1.0 Si Si25 1 0.84532396 0.00667939 0.50000000 1.0 Si Si26 1 0.49289562 0.65103991 0.50000000 1.0 Si Si27 1 0.50710438 0.34896009 0.50000000 1.0 Si Si28 1 0.00667939 0.15467604 0.50000000 1.0 Si Si29 1 0.99332061 0.84532396 0.50000000 1.0 Ir Ir30 1 0.74446473 0.51919449 0.00000000 1.0 Ir Ir31 1 0.25553527 0.48080551 0.00000000 1.0 Ir Ir32 1 0.24623809 0.98075561 0.00000000 1.0 Ir Ir33 1 0.75376191 0.01924439 0.00000000 1.0 Ir Ir34 1 0.48080551 0.74446473 0.00000000 1.0 Ir Ir35 1 0.51919449 0.25553527 0.00000000 1.0 Ir Ir36 1 0.01924439 0.24623809 0.00000000 1.0 Ir Ir37 1 0.98075561 0.75376191 0.00000000 1.0