# generated using pymatgen data_Tb2Ta3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84878417 _cell_length_b 7.05928483 _cell_length_c 13.32664634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Ta3Si4 _chemical_formula_sum 'Tb8 Ta12 Si16' _cell_volume 644.31027605 _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 Tb Tb0 1 0.99674453 0.17061053 0.40354032 1.0 Tb Tb1 1 0.49674453 0.32938947 0.09645968 1.0 Tb Tb2 1 0.50325547 0.67061053 0.59645968 1.0 Tb Tb3 1 0.00325547 0.82938947 0.90354032 1.0 Tb Tb4 1 0.00325547 0.82938947 0.59645968 1.0 Tb Tb5 1 0.50325547 0.67061053 0.90354032 1.0 Tb Tb6 1 0.49674453 0.32938947 0.40354032 1.0 Tb Tb7 1 0.99674453 0.17061053 0.09645968 1.0 Ta Ta8 1 0.33743561 0.82369388 0.12602122 1.0 Ta Ta9 1 0.83743561 0.67630612 0.37397878 1.0 Ta Ta10 1 0.66256439 0.17630612 0.62602122 1.0 Ta Ta11 1 0.16256439 0.32369388 0.87397878 1.0 Ta Ta12 1 0.16256439 0.32369388 0.62602122 1.0 Ta Ta13 1 0.66256439 0.17630612 0.87397878 1.0 Ta Ta14 1 0.33794337 0.01082391 0.75000000 1.0 Ta Ta15 1 0.83743561 0.67630612 0.12602122 1.0 Ta Ta16 1 0.66205663 0.98917609 0.25000000 1.0 Ta Ta17 1 0.16205663 0.51082391 0.25000000 1.0 Ta Ta18 1 0.83794337 0.48917609 0.75000000 1.0 Ta Ta19 1 0.33743561 0.82369388 0.37397878 1.0 Si Si20 1 0.33749743 0.03673362 0.54100688 1.0 Si Si21 1 0.83749743 0.46326638 0.95899312 1.0 Si Si22 1 0.66250257 0.96326638 0.04100688 1.0 Si Si23 1 0.16250257 0.53673362 0.45899312 1.0 Si Si24 1 0.16250257 0.53673362 0.04100688 1.0 Si Si25 1 0.66250257 0.96326638 0.45899312 1.0 Si Si26 1 0.83749743 0.46326638 0.54100688 1.0 Si Si27 1 0.33749743 0.03673362 0.95899312 1.0 Si Si28 1 0.79675462 0.37554903 0.25000000 1.0 Si Si29 1 0.29675462 0.12445097 0.25000000 1.0 Si Si30 1 0.70324538 0.87554903 0.75000000 1.0 Si Si31 1 0.20324538 0.62445097 0.75000000 1.0 Si Si32 1 0.04117015 0.87767099 0.25000000 1.0 Si Si33 1 0.54117015 0.62232901 0.25000000 1.0 Si Si34 1 0.45882985 0.37767099 0.75000000 1.0 Si Si35 1 0.95882985 0.12232901 0.75000000 1.0