# generated using pymatgen data_Ti18ReSi16Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64535467 _cell_length_b 6.64600521 _cell_length_c 12.13732643 _cell_angle_alpha 90.06585638 _cell_angle_beta 90.12352882 _cell_angle_gamma 90.02314815 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti18ReSi16Mo _chemical_formula_sum 'Ti18 Re1 Si16 Mo1' _cell_volume 536.04412750 _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 0.99600800 0.14895158 0.62238256 1.0 Ti Ti1 1 0.35173784 0.49639659 0.87349003 1.0 Ti Ti2 1 0.65036490 0.50561438 0.37031151 1.0 Ti Ti3 1 0.49451725 0.35007315 0.12950021 1.0 Ti Ti4 1 0.50359999 0.64853066 0.62657915 1.0 Ti Ti5 1 0.00373277 0.85173856 0.12067144 1.0 Ti Ti6 1 0.14821735 0.99740351 0.37784550 1.0 Ti Ti7 1 0.85077287 0.00554337 0.87918958 1.0 Ti Ti8 1 0.00058664 0.34031058 0.22156072 1.0 Ti Ti9 1 0.15503049 0.50246036 0.46985260 1.0 Ti Ti10 1 0.84011900 0.49816573 0.97136718 1.0 Ti Ti11 1 0.50164267 0.15727351 0.52946449 1.0 Ti Ti12 1 0.49831426 0.84229544 0.02870037 1.0 Ti Ti13 1 0.99821662 0.65692980 0.71969855 1.0 Ti Ti14 1 0.34484190 0.00207758 0.78049930 1.0 Ti Ti15 1 0.66143699 0.99855789 0.27890813 1.0 Ti Ti16 1 0.67057221 0.32888497 0.75057484 1.0 Ti Ti17 1 0.82937471 0.82868780 0.49844249 1.0 Re Re18 1 0.32763451 0.67174604 0.24907744 1.0 Si Si19 1 0.04529148 0.30239987 0.81413012 1.0 Si Si20 1 0.19820286 0.54527283 0.06484186 1.0 Si Si21 1 0.80170824 0.45500290 0.56399326 1.0 Si Si22 1 0.54400565 0.19868318 0.93603578 1.0 Si Si23 1 0.45410241 0.80139680 0.43478062 1.0 Si Si24 1 0.95844164 0.69860493 0.31346940 1.0 Si Si25 1 0.30276054 0.04159977 0.18708551 1.0 Si Si26 1 0.69818047 0.95462829 0.68570140 1.0 Si Si27 1 0.29379607 0.35834350 0.67402909 1.0 Si Si28 1 0.14072616 0.79331008 0.92221488 1.0 Si Si29 1 0.85725313 0.20656697 0.42432826 1.0 Si Si30 1 0.79226777 0.14148937 0.07746038 1.0 Si Si31 1 0.20631098 0.85841588 0.57607869 1.0 Si Si32 1 0.70636402 0.64064751 0.17200075 1.0 Si Si33 1 0.35954235 0.29438623 0.32837513 1.0 Si Si34 1 0.64231066 0.70629146 0.82548728 1.0 Mo Mo35 1 0.17201461 0.17131593 0.00186950 1.0