# generated using pymatgen data_Zr4Sc2Zn23C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59635360 _cell_length_b 8.61434485 _cell_length_c 8.61434424 _cell_angle_alpha 59.86187029 _cell_angle_beta 60.06906393 _cell_angle_gamma 60.06905757 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Sc2Zn23C _chemical_formula_sum 'Zr4 Sc2 Zn23 C1' _cell_volume 451.06584379 _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 Zr Zr0 1 0.31137286 0.68862714 0.31137286 1.0 Zr Zr1 1 0.68862714 0.31137286 0.68862714 1.0 Zr Zr2 1 0.31137286 0.31137286 0.68862714 1.0 Zr Zr3 1 0.68862714 0.68862714 0.31137286 1.0 Sc Sc4 1 0.69318249 0.30681751 0.30681751 1.0 Sc Sc5 1 0.30681751 0.69318249 0.69318249 1.0 Zn Zn6 1 0.12106685 0.12102016 0.12102016 1.0 Zn Zn7 1 0.87893315 0.87897984 0.87897984 1.0 Zn Zn8 1 0.12102016 0.12106685 0.63689484 1.0 Zn Zn9 1 0.12102016 0.63689484 0.12106685 1.0 Zn Zn10 1 0.87897984 0.87893315 0.36310516 1.0 Zn Zn11 1 0.87897984 0.36310516 0.87893315 1.0 Zn Zn12 1 0.63689484 0.12102016 0.12102016 1.0 Zn Zn13 1 0.36310516 0.87897984 0.87897984 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn20 1 0.33087280 0.33068870 0.33068870 1.0 Zn Zn21 1 0.66912720 0.66931130 0.66931130 1.0 Zn Zn22 1 0.33068870 0.33087280 0.00774980 1.0 Zn Zn23 1 0.33068870 0.00774980 0.33087280 1.0 Zn Zn24 1 0.66931130 0.66912720 0.99225020 1.0 Zn Zn25 1 0.66931130 0.99225020 0.66912720 1.0 Zn Zn26 1 0.00774980 0.33068870 0.33068870 1.0 Zn Zn27 1 0.99225020 0.66931130 0.66931130 1.0 Zn Zn28 1 0.00000000 0.00000000 0.00000000 1.0 C C29 1 0.50000000 0.50000000 0.50000000 1.0