# generated using pymatgen data_TmZrNb3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94571795 _cell_length_b 6.94900292 _cell_length_c 12.82818848 _cell_angle_alpha 90.04613733 _cell_angle_beta 90.01460711 _cell_angle_gamma 90.00184607 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmZrNb3Si4 _chemical_formula_sum 'Tm4 Zr4 Nb12 Si16' _cell_volume 619.16274194 _cell_formula_units_Z 4 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 Tm Tm0 1 0.99791184 0.33963454 0.21921644 1.0 Tm Tm1 1 0.00224771 0.66036734 0.71805030 1.0 Tm Tm2 1 0.16080886 0.49783004 0.46811993 1.0 Tm Tm3 1 0.50196053 0.83917433 0.03072093 1.0 Zr Zr4 1 0.84491975 0.49569307 0.96581799 1.0 Zr Zr5 1 0.50415730 0.15520605 0.53259722 1.0 Zr Zr6 1 0.34437262 0.00446886 0.78379831 1.0 Zr Zr7 1 0.65523357 0.99555197 0.28313108 1.0 Nb Nb8 1 0.16914244 0.17189597 0.99987094 1.0 Nb Nb9 1 0.82648112 0.83237477 0.49974199 1.0 Nb Nb10 1 0.33161279 0.67260626 0.24992318 1.0 Nb Nb11 1 0.66835392 0.32745485 0.74985801 1.0 Nb Nb12 1 0.15288888 0.99693384 0.37666059 1.0 Nb Nb13 1 0.84651767 0.00547113 0.87599802 1.0 Nb Nb14 1 0.50405072 0.65225105 0.62658071 1.0 Nb Nb15 1 0.34704171 0.49369867 0.87342384 1.0 Nb Nb16 1 0.49583759 0.35019144 0.12571820 1.0 Nb Nb17 1 0.65072922 0.50652462 0.37420178 1.0 Nb Nb18 1 0.99249425 0.15057747 0.62409970 1.0 Nb Nb19 1 0.00491738 0.85075582 0.12390299 1.0 Si Si20 1 0.29888857 0.04626356 0.18702703 1.0 Si Si21 1 0.70108393 0.95342127 0.68742979 1.0 Si Si22 1 0.45369482 0.79835980 0.43713337 1.0 Si Si23 1 0.20148633 0.54617672 0.06254240 1.0 Si Si24 1 0.54577094 0.20506466 0.93700993 1.0 Si Si25 1 0.79461127 0.45408941 0.56268395 1.0 Si Si26 1 0.04572179 0.29428308 0.81244343 1.0 Si Si27 1 0.95450623 0.70592781 0.31308143 1.0 Si Si28 1 0.36849874 0.29043989 0.32079448 1.0 Si Si29 1 0.63406981 0.70588547 0.82108315 1.0 Si Si30 1 0.20978441 0.86837000 0.57094662 1.0 Si Si31 1 0.13383534 0.79339268 0.92849818 1.0 Si Si32 1 0.79239292 0.13703402 0.06983091 1.0 Si Si33 1 0.86094912 0.20497996 0.42909434 1.0 Si Si34 1 0.29480174 0.36075315 0.67914693 1.0 Si Si35 1 0.70822715 0.63689243 0.17982091 1.0