# generated using pymatgen data_Zr3Ta(Tc3W)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51855684 _cell_length_b 6.40051170 _cell_length_c 13.56125610 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00053872 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ta(Tc3W)2 _chemical_formula_sum 'Zr6 Ta2 Tc12 W4' _cell_volume 392.20611735 _cell_formula_units_Z 2 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 0.00000930 0.00000000 0.99959699 1.0 Zr Zr1 1 0.49997589 0.50000000 0.16723126 1.0 Zr Zr2 1 0.00000245 0.00000000 0.33405782 1.0 Zr Zr3 1 0.49998025 0.50000000 0.50004176 1.0 Zr Zr4 1 0.00004580 0.00000000 0.66648261 1.0 Zr Zr5 1 0.50000162 0.50000000 0.83256116 1.0 Ta Ta6 1 0.00000113 0.50000000 0.99972819 1.0 Ta Ta7 1 0.49999932 0.00000000 0.16709885 1.0 Tc Tc8 1 0.50002131 0.24827345 0.99767689 1.0 Tc Tc9 1 0.50002131 0.75172655 0.99767689 1.0 Tc Tc10 1 0.99997073 0.25177119 0.16918670 1.0 Tc Tc11 1 0.99997073 0.74822881 0.16918670 1.0 Tc Tc12 1 0.49997368 0.25131101 0.33632166 1.0 Tc Tc13 1 0.49997368 0.74868899 0.33632166 1.0 Tc Tc14 1 0.99998444 0.24997247 0.50077810 1.0 Tc Tc15 1 0.99998444 0.75002753 0.50077810 1.0 Tc Tc16 1 0.50002697 0.24999516 0.66575401 1.0 Tc Tc17 1 0.50002697 0.75000484 0.66575401 1.0 Tc Tc18 1 0.00002815 0.24864232 0.83028051 1.0 Tc Tc19 1 0.00002815 0.75135768 0.83028051 1.0 W W20 1 0.99987048 0.50000000 0.33401479 1.0 W W21 1 0.50002543 0.00000000 0.50059394 1.0 W W22 1 0.99999266 0.50000000 0.66599168 1.0 W W23 1 0.50008812 0.00000000 0.83260520 1.0