# generated using pymatgen data_TbZr3(Ta3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89255451 _cell_length_b 6.89532708 _cell_length_c 12.74049930 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.87946368 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbZr3(Ta3Si4)2 _chemical_formula_sum 'Tb2 Zr6 Ta12 Si16' _cell_volume 605.50895204 _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 Tb Tb0 1 0.99724229 0.66169670 0.03082507 1.0 Tb Tb1 1 0.00275771 0.33830330 0.53082507 1.0 Zr Zr2 1 0.65697536 0.00394573 0.96788054 1.0 Zr Zr3 1 0.16075350 0.49752403 0.78180119 1.0 Zr Zr4 1 0.83924650 0.50247597 0.28180119 1.0 Zr Zr5 1 0.49799470 0.16085009 0.21941769 1.0 Zr Zr6 1 0.50200530 0.83914991 0.71941769 1.0 Zr Zr7 1 0.34302464 0.99605427 0.46788054 1.0 Ta Ta8 1 0.34775447 0.50740022 0.37548979 1.0 Ta Ta9 1 0.84429149 0.99741041 0.37244850 1.0 Ta Ta10 1 0.00548362 0.15299554 0.12707058 1.0 Ta Ta11 1 0.99451638 0.84700446 0.62707058 1.0 Ta Ta12 1 0.65224553 0.49259978 0.87548979 1.0 Ta Ta13 1 0.50377818 0.34794862 0.62430136 1.0 Ta Ta14 1 0.49622182 0.65205138 0.12430136 1.0 Ta Ta15 1 0.15570851 0.00258959 0.87244850 1.0 Ta Ta16 1 0.66819729 0.67262059 0.50003382 1.0 Ta Ta17 1 0.82916453 0.16860190 0.75047870 1.0 Ta Ta18 1 0.17083547 0.83139810 0.25047870 1.0 Ta Ta19 1 0.33180271 0.32737941 0.00003382 1.0 Si Si20 1 0.04457191 0.70717080 0.43620007 1.0 Si Si21 1 0.95542809 0.29282920 0.93620007 1.0 Si Si22 1 0.70018053 0.04405178 0.56353475 1.0 Si Si23 1 0.20327633 0.45476022 0.18767701 1.0 Si Si24 1 0.79672367 0.54523978 0.68767701 1.0 Si Si25 1 0.45543459 0.20152250 0.81292434 1.0 Si Si26 1 0.54456541 0.79847750 0.31292434 1.0 Si Si27 1 0.29981947 0.95594822 0.06353475 1.0 Si Si28 1 0.86349375 0.79315052 0.82055076 1.0 Si Si29 1 0.13650625 0.20684948 0.32055076 1.0 Si Si30 1 0.78873516 0.86864789 0.18012945 1.0 Si Si31 1 0.29446612 0.63858367 0.57199489 1.0 Si Si32 1 0.70553388 0.36141633 0.07199489 1.0 Si Si33 1 0.63139649 0.29282419 0.42724049 1.0 Si Si34 1 0.36860351 0.70717581 0.92724049 1.0 Si Si35 1 0.21126484 0.13135211 0.68012945 1.0