# generated using pymatgen data_Zr2Sc(ZnPt2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06973916 _cell_length_b 7.71091689 _cell_length_c 12.25342006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000218 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Sc(ZnPt2)3 _chemical_formula_sum 'Zr4 Sc2 Zn6 Pt12' _cell_volume 384.52972615 _cell_formula_units_Z 2 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 0.99999862 0.50000000 0.99813816 1.0 Zr Zr1 1 0.49999984 0.00000000 0.16563288 1.0 Zr Zr2 1 0.00000145 0.50000000 0.33438149 1.0 Zr Zr3 1 0.49999977 0.00000000 0.50186238 1.0 Sc Sc4 1 0.99999649 0.50000000 0.66713399 1.0 Sc Sc5 1 0.49999950 0.00000000 0.83286039 1.0 Zn Zn6 1 0.00000039 0.00000000 0.99690199 1.0 Zn Zn7 1 0.50000086 0.50000000 0.16624895 1.0 Zn Zn8 1 0.00000182 0.00000000 0.33374232 1.0 Zn Zn9 1 0.49999853 0.50000000 0.50310423 1.0 Zn Zn10 1 0.99999874 0.00000000 0.66945642 1.0 Zn Zn11 1 0.49999586 0.50000000 0.83056307 1.0 Pt Pt12 1 0.49999898 0.24952517 0.99917336 1.0 Pt Pt13 1 0.49999898 0.75047483 0.99917336 1.0 Pt Pt14 1 0.00000057 0.25079138 0.16623449 1.0 Pt Pt15 1 0.00000057 0.74920862 0.16623449 1.0 Pt Pt16 1 0.50000239 0.24920628 0.33376818 1.0 Pt Pt17 1 0.50000239 0.75079372 0.33376818 1.0 Pt Pt18 1 0.99999965 0.25047972 0.50082957 1.0 Pt Pt19 1 0.99999965 0.74952028 0.50082957 1.0 Pt Pt20 1 0.50000301 0.24941968 0.66734880 1.0 Pt Pt21 1 0.50000301 0.75058032 0.66734880 1.0 Pt Pt22 1 0.99999697 0.25058205 0.83263247 1.0 Pt Pt23 1 0.99999697 0.74941795 0.83263247 1.0