# generated using pymatgen data_Ti3Re(Tc3Sb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42552490 _cell_length_b 6.26219541 _cell_length_c 13.28433156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Re(Tc3Sb)2 _chemical_formula_sum 'Ti6 Re2 Tc12 Sb4' _cell_volume 368.15534525 _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 Ti Ti0 1 0.00000444 0.00000000 0.00033578 1.0 Ti Ti1 1 0.49993549 0.50000000 0.16693053 1.0 Ti Ti2 1 0.99993449 0.00000000 0.33306947 1.0 Ti Ti3 1 0.50000544 0.50000000 0.49966422 1.0 Ti Ti4 1 0.00005429 0.00000000 0.66626263 1.0 Ti Ti5 1 0.50005229 0.50000000 0.83373837 1.0 Re Re6 1 0.00003140 0.50000000 0.66758456 1.0 Re Re7 1 0.50003040 0.00000000 0.83241544 1.0 Tc Tc8 1 0.50002192 0.24283707 0.99041172 1.0 Tc Tc9 1 0.50002192 0.75716393 0.99041172 1.0 Tc Tc10 1 0.99994320 0.24859002 0.16517774 1.0 Tc Tc11 1 0.99994320 0.75140898 0.16517774 1.0 Tc Tc12 1 0.49994520 0.25140898 0.33482226 1.0 Tc Tc13 1 0.49994520 0.74859202 0.33482226 1.0 Tc Tc14 1 0.00002092 0.25716493 0.50958828 1.0 Tc Tc15 1 0.00002092 0.74283607 0.50958828 1.0 Tc Tc16 1 0.50006749 0.25400360 0.67198636 1.0 Tc Tc17 1 0.50006749 0.74599740 0.67198636 1.0 Tc Tc18 1 0.00006849 0.24599540 0.82801364 1.0 Tc Tc19 1 0.00006849 0.75400360 0.82801364 1.0 Sb Sb20 1 0.00000035 0.50000000 0.99937894 1.0 Sb Sb21 1 0.49990881 0.00000000 0.16606689 1.0 Sb Sb22 1 0.99990681 0.50000000 0.33393311 1.0 Sb Sb23 1 0.50000135 0.00000000 0.50062106 1.0