# generated using pymatgen data_Zr2Tc3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09064039 _cell_length_b 5.09064131 _cell_length_c 8.67593891 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999403 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Tc3Ni _chemical_formula_sum 'Zr4 Tc6 Ni2' _cell_volume 194.71170495 _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 0.33333300 0.66666700 0.43091346 1.0 Zr Zr1 1 0.66666700 0.33333300 0.56908654 1.0 Zr Zr2 1 0.66666700 0.33333300 0.93091346 1.0 Zr Zr3 1 0.33333300 0.66666700 0.06908654 1.0 Tc Tc4 1 0.83192428 0.16807572 0.25000000 1.0 Tc Tc5 1 0.83192428 0.66384756 0.25000000 1.0 Tc Tc6 1 0.33615244 0.16807572 0.25000000 1.0 Tc Tc7 1 0.16807572 0.83192428 0.75000000 1.0 Tc Tc8 1 0.16807572 0.33615244 0.75000000 1.0 Tc Tc9 1 0.66384756 0.83192428 0.75000000 1.0 Ni Ni10 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni11 1 0.00000000 0.00000000 0.00000000 1.0