# generated using pymatgen data_Nd5Ho12Th3Sn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11370239 _cell_length_b 8.20089428 _cell_length_c 15.60462632 _cell_angle_alpha 90.08559816 _cell_angle_beta 90.10706569 _cell_angle_gamma 89.93044465 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Ho12Th3Sn16 _chemical_formula_sum 'Nd5 Ho12 Th3 Sn16' _cell_volume 1038.32210259 _cell_formula_units_Z 1 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 0.52421840 0.32198091 0.90125201 1.0 Nd Nd1 1 0.02404824 0.17872592 0.59924353 1.0 Nd Nd2 1 0.47736164 0.67905840 0.40113702 1.0 Nd Nd3 1 0.97705437 0.81976049 0.09905512 1.0 Nd Nd4 1 0.47996213 0.67628042 0.09812754 1.0 Ho Ho5 1 0.36380281 0.83858917 0.87809145 1.0 Ho Ho6 1 0.86280666 0.66191391 0.62281208 1.0 Ho Ho7 1 0.63751340 0.16095834 0.37712464 1.0 Ho Ho8 1 0.13671631 0.33938129 0.12291471 1.0 Ho Ho9 1 0.63591995 0.15836192 0.12236176 1.0 Ho Ho10 1 0.13764538 0.34081676 0.37742481 1.0 Ho Ho11 1 0.36190309 0.84159249 0.62252506 1.0 Ho Ho12 1 0.86192424 0.65874120 0.87769251 1.0 Ho Ho13 1 0.19589863 0.50363968 0.75156021 1.0 Ho Ho14 1 0.69612395 0.99651595 0.74934791 1.0 Ho Ho15 1 0.80369043 0.49647946 0.24972928 1.0 Ho Ho16 1 0.30378813 0.00342217 0.24832848 1.0 Th Th17 1 0.98127879 0.82155376 0.40211441 1.0 Th Th18 1 0.51869074 0.32247888 0.59768470 1.0 Th Th19 1 0.01992892 0.17958177 0.90236944 1.0 Sn Sn20 1 0.29192208 0.03830651 0.04230814 1.0 Sn Sn21 1 0.79446839 0.46335312 0.45730871 1.0 Sn Sn22 1 0.70627193 0.96406797 0.54307366 1.0 Sn Sn23 1 0.20549395 0.53589385 0.95622017 1.0 Sn Sn24 1 0.70659272 0.96018051 0.95645802 1.0 Sn Sn25 1 0.20466540 0.54234618 0.54276982 1.0 Sn Sn26 1 0.29525497 0.04158215 0.45762033 1.0 Sn Sn27 1 0.79595849 0.45642210 0.04208483 1.0 Sn Sn28 1 0.56020111 0.62660840 0.74869290 1.0 Sn Sn29 1 0.06080265 0.87370334 0.75155030 1.0 Sn Sn30 1 0.43920514 0.37276783 0.24996653 1.0 Sn Sn31 1 0.93930358 0.12630500 0.25124574 1.0 Sn Sn32 1 0.32695772 0.14364306 0.75068074 1.0 Sn Sn33 1 0.82648150 0.35647951 0.74880349 1.0 Sn Sn34 1 0.67261212 0.85534699 0.25048325 1.0 Sn Sn35 1 0.17353403 0.64315856 0.24983770 1.0