# generated using pymatgen data_Zr2Si4Tc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94051205 _cell_length_b 9.94051235 _cell_length_c 13.40698185 _cell_angle_alpha 54.45375179 _cell_angle_beta 54.45374901 _cell_angle_gamma 31.07060341 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Si4Tc3 _chemical_formula_sum 'Zr8 Si16 Tc12' _cell_volume 545.22097788 _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 0.03764302 0.28921444 0.64094886 1.0 Zr Zr1 1 0.71078556 0.96235698 0.85905114 1.0 Zr Zr2 1 0.96235698 0.71078556 0.35905114 1.0 Zr Zr3 1 0.28921444 0.03764302 0.14094886 1.0 Zr Zr4 1 0.29453744 0.55883006 0.64489709 1.0 Zr Zr5 1 0.44116994 0.70546256 0.85510291 1.0 Zr Zr6 1 0.70546256 0.44116994 0.35510291 1.0 Zr Zr7 1 0.55883006 0.29453744 0.14489709 1.0 Si Si8 1 0.97324408 0.25217323 0.89573028 1.0 Si Si9 1 0.74782677 0.02675592 0.60426972 1.0 Si Si10 1 0.02675592 0.74782677 0.10426972 1.0 Si Si11 1 0.25217323 0.97324408 0.39573028 1.0 Si Si12 1 0.14198325 0.38871030 0.89930312 1.0 Si Si13 1 0.61128970 0.85801675 0.60069688 1.0 Si Si14 1 0.85801675 0.61128970 0.10069688 1.0 Si Si15 1 0.38871030 0.14198325 0.39930312 1.0 Si Si16 1 0.07736461 0.57899869 0.56526518 1.0 Si Si17 1 0.42100131 0.92263539 0.93473482 1.0 Si Si18 1 0.92263539 0.42100131 0.43473482 1.0 Si Si19 1 0.57899869 0.07736461 0.06526518 1.0 Si Si20 1 0.60720977 0.39279023 0.75000000 1.0 Si Si21 1 0.39279023 0.60720977 0.25000000 1.0 Si Si22 1 0.12891207 0.87108793 0.75000000 1.0 Si Si23 1 0.87108793 0.12891207 0.25000000 1.0 Tc Tc24 1 0.89407029 0.14678331 0.58505185 1.0 Tc Tc25 1 0.85321669 0.10592971 0.91494815 1.0 Tc Tc26 1 0.10592971 0.85321669 0.41494815 1.0 Tc Tc27 1 0.14678331 0.89407029 0.08505185 1.0 Tc Tc28 1 0.83462003 0.64888436 0.77663761 1.0 Tc Tc29 1 0.35111564 0.16537997 0.72336239 1.0 Tc Tc30 1 0.16537997 0.35111564 0.22336239 1.0 Tc Tc31 1 0.64888436 0.83462003 0.27663761 1.0 Tc Tc32 1 0.24644330 0.50922196 0.93728378 1.0 Tc Tc33 1 0.49077804 0.75355670 0.56271622 1.0 Tc Tc34 1 0.75355670 0.49077804 0.06271622 1.0 Tc Tc35 1 0.50922196 0.24644330 0.43728378 1.0