# generated using pymatgen data_TaPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89638324 _cell_length_b 5.56866565 _cell_length_c 27.53183597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.52622913 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPt3 _chemical_formula_sum 'Ta12 Pt36' _cell_volume 750.66022010 _cell_formula_units_Z 12 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 Ta Ta0 1 0.32858480 0.75000000 0.29251872 1.0 Ta Ta1 1 0.99543717 0.75000000 0.62590980 1.0 Ta Ta2 1 0.66981955 0.25000000 0.54245585 1.0 Ta Ta3 1 0.99694399 0.75000000 0.79092890 1.0 Ta Ta4 1 0.00305601 0.25000000 0.20907110 1.0 Ta Ta5 1 0.66205810 0.75000000 0.95922449 1.0 Ta Ta6 1 0.33794190 0.25000000 0.04077551 1.0 Ta Ta7 1 0.00456283 0.25000000 0.37409020 1.0 Ta Ta8 1 0.66353416 0.75000000 0.12419954 1.0 Ta Ta9 1 0.67141520 0.25000000 0.70748128 1.0 Ta Ta10 1 0.33018045 0.75000000 0.45754415 1.0 Ta Ta11 1 0.33646584 0.25000000 0.87580046 1.0 Pt Pt12 1 0.00210082 0.25000000 0.79072161 1.0 Pt Pt13 1 0.16587648 0.00131023 0.12569465 1.0 Pt Pt14 1 0.17142120 0.49880293 0.70863955 1.0 Pt Pt15 1 0.83795468 0.49880817 0.04192427 1.0 Pt Pt16 1 0.49927115 0.49868945 0.79243368 1.0 Pt Pt17 1 0.50072885 0.50131055 0.20756632 1.0 Pt Pt18 1 0.01760570 0.75000000 0.37475375 1.0 Pt Pt19 1 0.83254030 0.00132140 0.45904533 1.0 Pt Pt20 1 0.16204532 0.50119183 0.95807573 1.0 Pt Pt21 1 0.99789918 0.75000000 0.20927839 1.0 Pt Pt22 1 0.33534284 0.25000000 0.45733754 1.0 Pt Pt23 1 0.16587648 0.49868977 0.12569465 1.0 Pt Pt24 1 0.83254030 0.49867860 0.45904533 1.0 Pt Pt25 1 0.64897402 0.25000000 0.95856292 1.0 Pt Pt26 1 0.16745970 0.50132140 0.54095467 1.0 Pt Pt27 1 0.66465716 0.75000000 0.54266246 1.0 Pt Pt28 1 0.82857880 0.50119707 0.29136045 1.0 Pt Pt29 1 0.16204532 0.99880817 0.95807573 1.0 Pt Pt30 1 0.83412352 0.99868977 0.87430535 1.0 Pt Pt31 1 0.50458006 0.00119810 0.37523600 1.0 Pt Pt32 1 0.16745970 0.99867860 0.54095467 1.0 Pt Pt33 1 0.17142120 0.00119707 0.70863955 1.0 Pt Pt34 1 0.50458006 0.49880190 0.37523600 1.0 Pt Pt35 1 0.33130759 0.75000000 0.87601067 1.0 Pt Pt36 1 0.31551486 0.25000000 0.29184757 1.0 Pt Pt37 1 0.83795468 0.00119183 0.04192427 1.0 Pt Pt38 1 0.35102598 0.75000000 0.04143708 1.0 Pt Pt39 1 0.68448514 0.75000000 0.70815243 1.0 Pt Pt40 1 0.82857880 0.99880293 0.29136045 1.0 Pt Pt41 1 0.66869241 0.25000000 0.12398933 1.0 Pt Pt42 1 0.83412352 0.50131023 0.87430535 1.0 Pt Pt43 1 0.50072885 0.99868945 0.20756632 1.0 Pt Pt44 1 0.49927115 0.00131055 0.79243368 1.0 Pt Pt45 1 0.98239430 0.25000000 0.62524725 1.0 Pt Pt46 1 0.49541994 0.50119810 0.62476400 1.0 Pt Pt47 1 0.49541994 0.99880190 0.62476400 1.0