# generated using pymatgen data_NdTiAl4Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19568866 _cell_length_b 7.31531706 _cell_length_c 20.61977877 _cell_angle_alpha 88.54153826 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTiAl4Pt3 _chemical_formula_sum 'Nd4 Ti4 Al16 Pt12' _cell_volume 632.67357050 _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 Nd Nd0 1 0.25000000 0.12382590 0.64229663 1.0 Nd Nd1 1 0.75000000 0.88853301 0.35740829 1.0 Nd Nd2 1 0.25000000 0.36742102 0.14197467 1.0 Nd Nd3 1 0.75000000 0.60537695 0.85952149 1.0 Ti Ti4 1 0.75000000 0.37912324 0.38190770 1.0 Ti Ti5 1 0.75000000 0.87768825 0.98691383 1.0 Ti Ti6 1 0.75000000 0.70455652 0.19773313 1.0 Ti Ti7 1 0.25000000 0.87400630 0.49473690 1.0 Al Al8 1 0.25000000 0.60779258 0.99042472 1.0 Al Al9 1 0.25000000 0.30918585 0.79792470 1.0 Al Al10 1 0.75000000 0.08399271 0.21270167 1.0 Al Al11 1 0.25000000 0.64466124 0.61794266 1.0 Al Al12 1 0.25000000 0.57801945 0.29260555 1.0 Al Al13 1 0.25000000 0.19337719 0.29902864 1.0 Al Al14 1 0.75000000 0.13687852 0.88190524 1.0 Al Al15 1 0.25000000 0.92548720 0.79314481 1.0 Al Al16 1 0.75000000 0.34926705 0.00421325 1.0 Al Al17 1 0.75000000 0.62454424 0.48381466 1.0 Al Al18 1 0.75000000 0.14418204 0.50743377 1.0 Al Al19 1 0.25000000 0.10718339 0.02018326 1.0 Al Al20 1 0.25000000 0.83636741 0.11123390 1.0 Al Al21 1 0.25000000 0.39353719 0.51563135 1.0 Al Al22 1 0.75000000 0.43490996 0.70811952 1.0 Al Al23 1 0.75000000 0.81701414 0.70178681 1.0 Pt Pt24 1 0.75000000 0.39357509 0.26022498 1.0 Pt Pt25 1 0.25000000 0.88862849 0.23387340 1.0 Pt Pt26 1 0.25000000 0.62190102 0.73909954 1.0 Pt Pt27 1 0.75000000 0.12106276 0.76189112 1.0 Pt Pt28 1 0.25000000 0.16821195 0.42667704 1.0 Pt Pt29 1 0.75000000 0.42683472 0.58427002 1.0 Pt Pt30 1 0.75000000 0.07406107 0.08785433 1.0 Pt Pt31 1 0.25000000 0.90780252 0.91774037 1.0 Pt Pt32 1 0.75000000 0.84526046 0.57429970 1.0 Pt Pt33 1 0.25000000 0.31913448 0.92600380 1.0 Pt Pt34 1 0.75000000 0.63327929 0.07151671 1.0 Pt Pt35 1 0.25000000 0.59331782 0.41596282 1.0