# generated using pymatgen data_TbZr(SnIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43718460 _cell_length_b 7.43718552 _cell_length_c 7.61713091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999590 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbZr(SnIr)2 _chemical_formula_sum 'Tb3 Zr3 Sn6 Ir6' _cell_volume 364.87091463 _cell_formula_units_Z 3 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 Tb Tb0 1 0.40650987 0.00001791 0.25000000 1.0 Tb Tb1 1 0.59350804 0.59349013 0.25000000 1.0 Tb Tb2 1 0.99998209 0.40649196 0.25000000 1.0 Zr Zr3 1 0.60775313 0.60780446 0.75000000 1.0 Zr Zr4 1 0.00005133 0.39224687 0.75000000 1.0 Zr Zr5 1 0.39219554 0.99994867 0.75000000 1.0 Sn Sn6 1 0.26538308 0.26536302 0.50661306 1.0 Sn Sn7 1 0.26538308 0.26536302 0.99338694 1.0 Sn Sn8 1 0.73463698 0.00002006 0.99338694 1.0 Sn Sn9 1 0.99997994 0.73461692 0.50661306 1.0 Sn Sn10 1 0.73463698 0.00002006 0.50661306 1.0 Sn Sn11 1 0.99997994 0.73461692 0.99338694 1.0 Ir Ir12 1 0.66666700 0.33333300 0.53557793 1.0 Ir Ir13 1 0.66666700 0.33333300 0.96442207 1.0 Ir Ir14 1 0.33333300 0.66666700 0.96463646 1.0 Ir Ir15 1 0.33333300 0.66666700 0.53536354 1.0 Ir Ir16 1 0.00000000 0.00000000 0.75000000 1.0 Ir Ir17 1 0.00000000 0.00000000 0.25000000 1.0