# generated using pymatgen data_Ti12Tc5MoRh6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37028356 _cell_length_b 6.17194545 _cell_length_c 13.11123268 _cell_angle_alpha 89.99998862 _cell_angle_beta 90.00012544 _cell_angle_gamma 89.99998558 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti12Tc5MoRh6 _chemical_formula_sum 'Ti12 Tc5 Mo1 Rh6' _cell_volume 353.65126850 _cell_formula_units_Z 1 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 0.50000170 0.25028793 0.00000484 1.0 Ti Ti1 1 0.50000087 0.74970918 0.00000489 1.0 Ti Ti2 1 0.00005667 0.25006773 0.16672419 1.0 Ti Ti3 1 0.00005851 0.74993385 0.16672427 1.0 Ti Ti4 1 0.50005614 0.24988753 0.33317478 1.0 Ti Ti5 1 0.50005103 0.75011835 0.33317385 1.0 Ti Ti6 1 0.99999847 0.24978548 0.49999892 1.0 Ti Ti7 1 0.00000172 0.75022005 0.49999892 1.0 Ti Ti8 1 0.49994986 0.24988451 0.66682059 1.0 Ti Ti9 1 0.49994442 0.75012097 0.66682206 1.0 Ti Ti10 1 0.99994298 0.25007202 0.83327899 1.0 Ti Ti11 1 0.99994373 0.74992896 0.83327849 1.0 Tc Tc12 1 0.50005244 0.50001290 0.16769352 1.0 Tc Tc13 1 0.00003955 0.99998383 0.33434286 1.0 Tc Tc14 1 0.50000009 0.50001600 0.50000198 1.0 Tc Tc15 1 0.99996060 0.99998339 0.66565767 1.0 Tc Tc16 1 0.49994570 0.50001553 0.83229944 1.0 Mo Mo17 1 0.99999986 0.99997490 0.00000120 1.0 Rh Rh18 1 0.00000033 0.50001383 0.99999991 1.0 Rh Rh19 1 0.50004803 0.99998244 0.16830430 1.0 Rh Rh20 1 0.00004717 0.50001794 0.33403065 1.0 Rh Rh21 1 0.50000019 0.99998472 0.50000763 1.0 Rh Rh22 1 0.99995200 0.50001710 0.66596809 1.0 Rh Rh23 1 0.49995194 0.99998086 0.83168796 1.0