# generated using pymatgen data_Zr2Ti(Si2Tc)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62035986 _cell_length_b 6.62035986 _cell_length_c 12.60486694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ti(Si2Tc)2 _chemical_formula_sum 'Zr8 Ti4 Si16 Tc8' _cell_volume 552.46078844 _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 0.01268971 0.66169186 0.03439079 1.0 Zr Zr1 1 0.98731029 0.33830814 0.53439079 1.0 Zr Zr2 1 0.66169186 0.01268971 0.96560921 1.0 Zr Zr3 1 0.16169186 0.48731029 0.78439079 1.0 Zr Zr4 1 0.83830814 0.51268971 0.28439079 1.0 Zr Zr5 1 0.48731029 0.16169186 0.21560921 1.0 Zr Zr6 1 0.51268971 0.83830814 0.71560921 1.0 Zr Zr7 1 0.33830814 0.98731029 0.46560921 1.0 Ti Ti8 1 0.65963681 0.65963681 0.50000000 1.0 Ti Ti9 1 0.84036319 0.15963681 0.75000000 1.0 Ti Ti10 1 0.15963681 0.84036319 0.25000000 1.0 Ti Ti11 1 0.34036319 0.34036319 0.00000000 1.0 Si Si12 1 0.02424406 0.72273575 0.44402415 1.0 Si Si13 1 0.97575594 0.27726425 0.94402415 1.0 Si Si14 1 0.72273575 0.02424406 0.55597585 1.0 Si Si15 1 0.22273575 0.47575594 0.19402415 1.0 Si Si16 1 0.77726425 0.52424406 0.69402415 1.0 Si Si17 1 0.47575594 0.22273575 0.80597585 1.0 Si Si18 1 0.52424406 0.77726425 0.30597585 1.0 Si Si19 1 0.27726425 0.97575594 0.05597585 1.0 Si Si20 1 0.87992465 0.79180602 0.82555730 1.0 Si Si21 1 0.12007535 0.20819398 0.32555730 1.0 Si Si22 1 0.79180602 0.87992465 0.17444270 1.0 Si Si23 1 0.29180602 0.62007535 0.57555730 1.0 Si Si24 1 0.70819398 0.37992465 0.07555730 1.0 Si Si25 1 0.62007535 0.29180602 0.42444270 1.0 Si Si26 1 0.37992465 0.70819398 0.92444270 1.0 Si Si27 1 0.20819398 0.12007535 0.67444270 1.0 Tc Tc28 1 0.31875146 0.49801397 0.38729178 1.0 Tc Tc29 1 0.81875146 0.00198603 0.36270822 1.0 Tc Tc30 1 0.99801397 0.18124854 0.13729178 1.0 Tc Tc31 1 0.00198603 0.81875146 0.63729178 1.0 Tc Tc32 1 0.68124854 0.50198603 0.88729178 1.0 Tc Tc33 1 0.49801397 0.31875146 0.61270822 1.0 Tc Tc34 1 0.50198603 0.68124854 0.11270822 1.0 Tc Tc35 1 0.18124854 0.99801397 0.86270822 1.0