# generated using pymatgen data_Sm3Th5(Ta3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96588571 _cell_length_b 7.20262687 _cell_length_c 13.47639467 _cell_angle_alpha 89.96818172 _cell_angle_beta 90.26100828 _cell_angle_gamma 90.00519013 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Th5(Ta3Si4)4 _chemical_formula_sum 'Sm3 Th5 Ta12 Si16' _cell_volume 676.13965524 _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 Sm Sm0 1 0.00280305 0.16918069 0.40459224 1.0 Sm Sm1 1 0.50236003 0.33070264 0.40461002 1.0 Sm Sm2 1 0.49782868 0.66958190 0.59449442 1.0 Th Th3 1 0.00180938 0.17045547 0.09772158 1.0 Th Th4 1 0.99909137 0.82996392 0.90284623 1.0 Th Th5 1 0.49889463 0.66961972 0.90338021 1.0 Th Th6 1 0.99622153 0.83121892 0.59397628 1.0 Th Th7 1 0.50169192 0.32965372 0.09771925 1.0 Ta Ta8 1 0.16162713 0.48874852 0.74877406 1.0 Ta Ta9 1 0.83774203 0.51276497 0.25038876 1.0 Ta Ta10 1 0.33795096 0.98690693 0.25015149 1.0 Ta Ta11 1 0.66285487 0.01320163 0.74984117 1.0 Ta Ta12 1 0.33541198 0.17397560 0.62483486 1.0 Ta Ta13 1 0.66253054 0.82492748 0.37529412 1.0 Ta Ta14 1 0.16134808 0.67550792 0.37511377 1.0 Ta Ta15 1 0.66222176 0.82678452 0.12629991 1.0 Ta Ta16 1 0.83921445 0.32470821 0.62489028 1.0 Ta Ta17 1 0.33923273 0.17405972 0.87400153 1.0 Ta Ta18 1 0.83707428 0.32755349 0.87416455 1.0 Ta Ta19 1 0.16258358 0.67295391 0.12619048 1.0 Si Si20 1 0.04189036 0.13000403 0.74951820 1.0 Si Si21 1 0.95848681 0.87182017 0.25187127 1.0 Si Si22 1 0.45858090 0.62820329 0.25225777 1.0 Si Si23 1 0.54094527 0.37146643 0.74742657 1.0 Si Si24 1 0.30317368 0.88561396 0.74716797 1.0 Si Si25 1 0.69987057 0.11452875 0.25419400 1.0 Si Si26 1 0.20005086 0.38531385 0.25413224 1.0 Si Si27 1 0.79853961 0.61295959 0.74697045 1.0 Si Si28 1 0.16158596 0.45828929 0.54176154 1.0 Si Si29 1 0.83951623 0.53654564 0.45611827 1.0 Si Si30 1 0.34092221 0.96133636 0.45615666 1.0 Si Si31 1 0.84013296 0.54404510 0.04416989 1.0 Si Si32 1 0.65545545 0.04146593 0.54207771 1.0 Si Si33 1 0.15985586 0.45609919 0.95639060 1.0 Si Si34 1 0.66043953 0.04365459 0.95655924 1.0 Si Si35 1 0.34006377 0.95618299 0.04394143 1.0