# generated using pymatgen data_Ho3Th(Nb3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08030788 _cell_length_b 7.08044541 _cell_length_c 13.12636150 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.13703939 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho3Th(Nb3Si4)2 _chemical_formula_sum 'Ho6 Th2 Nb12 Si16' _cell_volume 658.04537351 _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 Ho Ho0 1 0.00014516 0.34150533 0.21666036 1.0 Ho Ho1 1 0.99985484 0.65849467 0.71666036 1.0 Ho Ho2 1 0.15998188 0.50052552 0.46809969 1.0 Ho Ho3 1 0.49877741 0.84024475 0.03220601 1.0 Ho Ho4 1 0.84001812 0.49947448 0.96809969 1.0 Ho Ho5 1 0.50122259 0.15975525 0.53220601 1.0 Th Th6 1 0.33921375 0.99608278 0.78250959 1.0 Th Th7 1 0.66078625 0.00391722 0.28250959 1.0 Nb Nb8 1 0.16978555 0.17093783 0.99951727 1.0 Nb Nb9 1 0.83021445 0.82906217 0.49951727 1.0 Nb Nb10 1 0.32967092 0.67216076 0.25041047 1.0 Nb Nb11 1 0.67032908 0.32783924 0.75041047 1.0 Nb Nb12 1 0.15372442 0.99171722 0.37598019 1.0 Nb Nb13 1 0.84627558 0.00828278 0.87598019 1.0 Nb Nb14 1 0.51019454 0.65369235 0.62601896 1.0 Nb Nb15 1 0.34651267 0.49280331 0.87427659 1.0 Nb Nb16 1 0.48980546 0.34630765 0.12601896 1.0 Nb Nb17 1 0.65348733 0.50719669 0.37427659 1.0 Nb Nb18 1 0.99583208 0.15516066 0.62384392 1.0 Nb Nb19 1 0.00416792 0.84483934 0.12384392 1.0 Si Si20 1 0.28652029 0.04561754 0.18494908 1.0 Si Si21 1 0.71347971 0.95438246 0.68494908 1.0 Si Si22 1 0.45242782 0.79102663 0.43953824 1.0 Si Si23 1 0.20548577 0.54445779 0.06322285 1.0 Si Si24 1 0.54757218 0.20897337 0.93953824 1.0 Si Si25 1 0.79451423 0.45554221 0.56322285 1.0 Si Si26 1 0.04201396 0.29866716 0.81317047 1.0 Si Si27 1 0.95798604 0.70133284 0.31317047 1.0 Si Si28 1 0.36189595 0.29903525 0.31756331 1.0 Si Si29 1 0.63810405 0.70096475 0.81756331 1.0 Si Si30 1 0.20326897 0.86600855 0.56564882 1.0 Si Si31 1 0.12816447 0.79091270 0.93558762 1.0 Si Si32 1 0.79673103 0.13399145 0.06564882 1.0 Si Si33 1 0.87183553 0.20908730 0.43558762 1.0 Si Si34 1 0.29534798 0.37254785 0.68079557 1.0 Si Si35 1 0.70465202 0.62745215 0.18079557 1.0