# generated using pymatgen data_ZrSc(ZnPt2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08529563 _cell_length_b 7.64205737 _cell_length_c 12.25222705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00001461 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc(ZnPt2)2 _chemical_formula_sum 'Zr3 Sc3 Zn6 Pt12' _cell_volume 382.51530692 _cell_formula_units_Z 3 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 0.00000070 0.50000000 0.99803219 1.0 Zr Zr1 1 0.50000076 0.00000000 0.16666194 1.0 Zr Zr2 1 0.99999973 0.50000000 0.33530648 1.0 Sc Sc3 1 0.49999781 0.00000000 0.50156700 1.0 Sc Sc4 1 0.99999827 0.50000000 0.66666542 1.0 Sc Sc5 1 0.49999778 0.00000000 0.83175542 1.0 Zn Zn6 1 0.99999861 0.00000000 0.99725970 1.0 Zn Zn7 1 0.50000128 0.50000000 0.16667557 1.0 Zn Zn8 1 0.99999992 0.00000000 0.33608054 1.0 Zn Zn9 1 0.49999478 0.50000000 0.50244369 1.0 Zn Zn10 1 0.99999868 0.00000000 0.66666377 1.0 Zn Zn11 1 0.50000128 0.50000000 0.83088906 1.0 Pt Pt12 1 0.50000020 0.24971582 0.99896789 1.0 Pt Pt13 1 0.50000020 0.75028418 0.99896789 1.0 Pt Pt14 1 0.00000096 0.25092725 0.16666534 1.0 Pt Pt15 1 0.00000096 0.74907275 0.16666534 1.0 Pt Pt16 1 0.49999901 0.24969997 0.33436336 1.0 Pt Pt17 1 0.49999901 0.75030003 0.33436336 1.0 Pt Pt18 1 0.99999645 0.24969714 0.50144836 1.0 Pt Pt19 1 0.99999645 0.75030286 0.50144836 1.0 Pt Pt20 1 0.49999902 0.25011325 0.66667398 1.0 Pt Pt21 1 0.49999902 0.74988675 0.66667398 1.0 Pt Pt22 1 0.00000906 0.24967424 0.83188118 1.0 Pt Pt23 1 0.00000906 0.75032576 0.83188118 1.0