# generated using pymatgen data_Sc3Zn3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58767734 _cell_length_b 8.58767750 _cell_length_c 8.58767617 _cell_angle_alpha 60.00000134 _cell_angle_beta 60.00000072 _cell_angle_gamma 59.99999892 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Zn3C _chemical_formula_sum 'Sc12 Zn12 C4' _cell_volume 447.82889353 _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 Sc Sc0 1 0.44409539 0.44409539 0.05590461 1.0 Sc Sc1 1 0.05590461 0.44409539 0.05590461 1.0 Sc Sc2 1 0.44409539 0.05590461 0.05590461 1.0 Sc Sc3 1 0.05590461 0.05590461 0.44409539 1.0 Sc Sc4 1 0.44409539 0.05590461 0.44409539 1.0 Sc Sc5 1 0.05590461 0.44409539 0.44409539 1.0 Sc Sc6 1 0.80590461 0.80590461 0.19409539 1.0 Sc Sc7 1 0.19409539 0.80590461 0.19409539 1.0 Sc Sc8 1 0.80590461 0.19409539 0.19409539 1.0 Sc Sc9 1 0.19409539 0.19409539 0.80590461 1.0 Sc Sc10 1 0.80590461 0.19409539 0.80590461 1.0 Sc Sc11 1 0.19409539 0.80590461 0.80590461 1.0 Zn Zn12 1 0.82848355 0.82848355 0.51454934 1.0 Zn Zn13 1 0.82848355 0.51454934 0.82848355 1.0 Zn Zn14 1 0.51454934 0.82848355 0.82848355 1.0 Zn Zn15 1 0.82848355 0.82848355 0.82848355 1.0 Zn Zn16 1 0.42151645 0.42151645 0.73545066 1.0 Zn Zn17 1 0.42151645 0.73545066 0.42151645 1.0 Zn Zn18 1 0.73545066 0.42151645 0.42151645 1.0 Zn Zn19 1 0.42151645 0.42151645 0.42151645 1.0 Zn Zn20 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn21 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn22 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn23 1 0.62500000 0.62500000 0.62500000 1.0 C C24 1 0.12500000 0.12500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.12500000 1.0 C C26 1 0.62500000 0.12500000 0.12500000 1.0 C C27 1 0.12500000 0.12500000 0.12500000 1.0