# generated using pymatgen data_Sc6Zn23Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72540179 _cell_length_b 8.72540146 _cell_length_c 8.72540130 _cell_angle_alpha 60.00000063 _cell_angle_beta 60.00000188 _cell_angle_gamma 59.99999791 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Zn23Ge _chemical_formula_sum 'Sc6 Zn23 Ge1' _cell_volume 469.72239504 _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 Sc Sc0 1 0.71286084 0.28713916 0.28713916 1.0 Sc Sc1 1 0.71286084 0.28713916 0.71286084 1.0 Sc Sc2 1 0.71286084 0.71286084 0.28713916 1.0 Sc Sc3 1 0.28713916 0.71286084 0.71286084 1.0 Sc Sc4 1 0.28713916 0.71286084 0.28713916 1.0 Sc Sc5 1 0.28713916 0.28713916 0.71286084 1.0 Zn Zn6 1 0.62822996 0.12392368 0.12392368 1.0 Zn Zn7 1 0.12392368 0.62822996 0.12392368 1.0 Zn Zn8 1 0.12392368 0.12392368 0.62822996 1.0 Zn Zn9 1 0.12392368 0.12392368 0.12392368 1.0 Zn Zn10 1 0.37177004 0.87607632 0.87607632 1.0 Zn Zn11 1 0.87607632 0.37177004 0.87607632 1.0 Zn Zn12 1 0.87607632 0.87607632 0.37177004 1.0 Zn Zn13 1 0.87607632 0.87607632 0.87607632 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn16 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn21 1 0.00182605 0.33272398 0.33272398 1.0 Zn Zn22 1 0.33272398 0.00182605 0.33272398 1.0 Zn Zn23 1 0.33272398 0.33272398 0.00182605 1.0 Zn Zn24 1 0.33272398 0.33272398 0.33272398 1.0 Zn Zn25 1 0.99817395 0.66727602 0.66727602 1.0 Zn Zn26 1 0.66727602 0.99817395 0.66727602 1.0 Zn Zn27 1 0.66727602 0.66727602 0.99817395 1.0 Zn Zn28 1 0.66727602 0.66727602 0.66727602 1.0 Ge Ge29 1 0.50000000 0.50000000 0.50000000 1.0