# generated using pymatgen data_Nd2Zr3Sn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87526836 _cell_length_b 7.90465695 _cell_length_c 14.87239587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Zr3Sn4 _chemical_formula_sum 'Nd8 Zr12 Sn16' _cell_volume 925.82589931 _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 0.50975759 0.32398727 0.90627100 1.0 Nd Nd1 1 0.00975759 0.17601273 0.59372900 1.0 Nd Nd2 1 0.49024241 0.67601273 0.40627100 1.0 Nd Nd3 1 0.99024241 0.82398727 0.09372900 1.0 Nd Nd4 1 0.49024241 0.67601273 0.09372900 1.0 Nd Nd5 1 0.99024241 0.82398727 0.40627100 1.0 Nd Nd6 1 0.50975759 0.32398727 0.59372900 1.0 Nd Nd7 1 0.00975759 0.17601273 0.90627100 1.0 Zr Zr8 1 0.34451002 0.83661022 0.86986210 1.0 Zr Zr9 1 0.84451002 0.66338978 0.63013790 1.0 Zr Zr10 1 0.65548998 0.16338978 0.36986210 1.0 Zr Zr11 1 0.15548998 0.33661022 0.13013790 1.0 Zr Zr12 1 0.65548998 0.16338978 0.13013790 1.0 Zr Zr13 1 0.15548998 0.33661022 0.36986210 1.0 Zr Zr14 1 0.34451002 0.83661022 0.63013790 1.0 Zr Zr15 1 0.84451002 0.66338978 0.86986210 1.0 Zr Zr16 1 0.16830370 0.51097992 0.75000000 1.0 Zr Zr17 1 0.66830370 0.98902008 0.75000000 1.0 Zr Zr18 1 0.83169630 0.48902008 0.25000000 1.0 Zr Zr19 1 0.33169630 0.01097992 0.25000000 1.0 Sn Sn20 1 0.31761504 0.04231207 0.04357621 1.0 Sn Sn21 1 0.81761504 0.45768793 0.45642379 1.0 Sn Sn22 1 0.68238496 0.95768793 0.54357621 1.0 Sn Sn23 1 0.18238496 0.54231207 0.95642379 1.0 Sn Sn24 1 0.68238496 0.95768793 0.95642379 1.0 Sn Sn25 1 0.18238496 0.54231207 0.54357621 1.0 Sn Sn26 1 0.31761504 0.04231207 0.45642379 1.0 Sn Sn27 1 0.81761504 0.45768793 0.04357621 1.0 Sn Sn28 1 0.54139895 0.62126889 0.75000000 1.0 Sn Sn29 1 0.04139895 0.87873111 0.75000000 1.0 Sn Sn30 1 0.45860105 0.37873111 0.25000000 1.0 Sn Sn31 1 0.95860105 0.12126889 0.25000000 1.0 Sn Sn32 1 0.31214932 0.14941182 0.75000000 1.0 Sn Sn33 1 0.81214932 0.35058818 0.75000000 1.0 Sn Sn34 1 0.68785068 0.85058818 0.25000000 1.0 Sn Sn35 1 0.18785068 0.64941182 0.25000000 1.0