# generated using pymatgen data_Zr2Sc(Cu2Si)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36707941 _cell_length_b 6.37716700 _cell_length_c 3.94347519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.05242961 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Sc(Cu2Si)2 _chemical_formula_sum 'Zr2 Sc1 Cu4 Si2' _cell_volume 138.59517563 _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 0.40912049 0.40966414 0.50000000 1.0 Zr Zr1 1 0.59087951 0.00054365 0.50000000 1.0 Sc Sc2 1 0.00000000 0.59222575 0.50000000 1.0 Cu Cu3 1 0.00000000 0.99748254 0.50000000 1.0 Cu Cu4 1 0.24718804 0.99913947 0.00000000 1.0 Cu Cu5 1 0.75281196 0.75195143 0.00000000 1.0 Cu Cu6 1 1.00000000 0.24800719 0.00000000 1.0 Si Si7 1 0.66455195 0.33276839 0.00000000 1.0 Si Si8 1 0.33544805 0.66821844 0.00000000 1.0