# generated using pymatgen data_Zr2Ta3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85330220 _cell_length_b 6.85330220 _cell_length_c 12.65530497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta3Si4 _chemical_formula_sum 'Zr8 Ta12 Si16' _cell_volume 594.39121314 _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 Zr Zr0 1 0.00105183 0.66049034 0.03088757 1.0 Zr Zr1 1 0.99894817 0.33950966 0.53088757 1.0 Zr Zr2 1 0.66049034 0.00105183 0.96911243 1.0 Zr Zr3 1 0.16049034 0.49894817 0.78088757 1.0 Zr Zr4 1 0.83950966 0.50105183 0.28088757 1.0 Zr Zr5 1 0.49894817 0.16049034 0.21911243 1.0 Zr Zr6 1 0.50105183 0.83950966 0.71911243 1.0 Zr Zr7 1 0.33950966 0.99894817 0.46911243 1.0 Ta Ta8 1 0.34669945 0.50443328 0.37630033 1.0 Ta Ta9 1 0.84669945 0.99556672 0.37369967 1.0 Ta Ta10 1 0.00443328 0.15330055 0.12630033 1.0 Ta Ta11 1 0.99556672 0.84669945 0.62630033 1.0 Ta Ta12 1 0.65330055 0.49556672 0.87630033 1.0 Ta Ta13 1 0.50443328 0.34669945 0.62369967 1.0 Ta Ta14 1 0.49556672 0.65330055 0.12369967 1.0 Ta Ta15 1 0.15330055 0.00443328 0.87369967 1.0 Ta Ta16 1 0.66997307 0.66997307 0.50000000 1.0 Ta Ta17 1 0.83002693 0.16997307 0.75000000 1.0 Ta Ta18 1 0.16997307 0.83002693 0.25000000 1.0 Ta Ta19 1 0.33002693 0.33002693 0.00000000 1.0 Si Si20 1 0.04472210 0.70192266 0.43653898 1.0 Si Si21 1 0.95527790 0.29807734 0.93653898 1.0 Si Si22 1 0.70192266 0.04472210 0.56346102 1.0 Si Si23 1 0.20192266 0.45527790 0.18653898 1.0 Si Si24 1 0.79807734 0.54472210 0.68653898 1.0 Si Si25 1 0.45527790 0.20192266 0.81346102 1.0 Si Si26 1 0.54472210 0.79807734 0.31346102 1.0 Si Si27 1 0.29807734 0.95527790 0.06346102 1.0 Si Si28 1 0.86558132 0.79161616 0.82226532 1.0 Si Si29 1 0.13441868 0.20838384 0.32226532 1.0 Si Si30 1 0.79161616 0.86558132 0.17773468 1.0 Si Si31 1 0.29161616 0.63441868 0.57226532 1.0 Si Si32 1 0.70838384 0.36558132 0.07226532 1.0 Si Si33 1 0.63441868 0.29161616 0.42773468 1.0 Si Si34 1 0.36558132 0.70838384 0.92773468 1.0 Si Si35 1 0.20838384 0.13441868 0.67773468 1.0