# generated using pymatgen data_TbZr3(Nb3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93283699 _cell_length_b 6.92870297 _cell_length_c 12.80645572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.12163189 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbZr3(Nb3Si4)2 _chemical_formula_sum 'Tb2 Zr6 Nb12 Si16' _cell_volume 615.16399220 _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 0.33914957 0.99726190 0.78132086 1.0 Tb Tb1 1 0.66085043 0.00273810 0.28132086 1.0 Zr Zr2 1 0.00419587 0.34413775 0.21662275 1.0 Zr Zr3 1 0.99580413 0.65586225 0.71662275 1.0 Zr Zr4 1 0.15935557 0.50231380 0.46851173 1.0 Zr Zr5 1 0.49757091 0.84049952 0.03299462 1.0 Zr Zr6 1 0.84064443 0.49768620 0.96851173 1.0 Zr Zr7 1 0.50242909 0.15950048 0.53299462 1.0 Nb Nb8 1 0.16890372 0.17092397 0.00040436 1.0 Nb Nb9 1 0.83109628 0.82907603 0.50040436 1.0 Nb Nb10 1 0.32699713 0.66808641 0.25011342 1.0 Nb Nb11 1 0.67300287 0.33191359 0.75011342 1.0 Nb Nb12 1 0.15200596 0.99474209 0.37692781 1.0 Nb Nb13 1 0.84799404 0.00525791 0.87692781 1.0 Nb Nb14 1 0.50714483 0.65195556 0.62543943 1.0 Nb Nb15 1 0.34902049 0.49657795 0.87447177 1.0 Nb Nb16 1 0.49285517 0.34804444 0.12543943 1.0 Nb Nb17 1 0.65097951 0.50342205 0.37447177 1.0 Nb Nb18 1 0.99773832 0.15554702 0.62262271 1.0 Nb Nb19 1 0.00226168 0.84445298 0.12262271 1.0 Si Si20 1 0.29178006 0.04537361 0.18663240 1.0 Si Si21 1 0.70821994 0.95462639 0.68663240 1.0 Si Si22 1 0.45353456 0.79643112 0.43810026 1.0 Si Si23 1 0.20214618 0.54527684 0.06260594 1.0 Si Si24 1 0.54646544 0.20356888 0.93810026 1.0 Si Si25 1 0.79785382 0.45472316 0.56260594 1.0 Si Si26 1 0.04514801 0.30010950 0.81315330 1.0 Si Si27 1 0.95485199 0.69989050 0.31315330 1.0 Si Si28 1 0.36064992 0.29410916 0.32207976 1.0 Si Si29 1 0.63935008 0.70589084 0.82207976 1.0 Si Si30 1 0.20700633 0.86355392 0.57035754 1.0 Si Si31 1 0.13170499 0.78830238 0.93049003 1.0 Si Si32 1 0.79299367 0.13644608 0.07035754 1.0 Si Si33 1 0.86829501 0.21169762 0.43049003 1.0 Si Si34 1 0.29237164 0.36917913 0.67715231 1.0 Si Si35 1 0.70762836 0.63082087 0.17715231 1.0