# generated using pymatgen data_Ti12CdSn4Sb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30562648 _cell_length_b 9.23183658 _cell_length_c 5.62971193 _cell_angle_alpha 89.95235187 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.26476334 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti12CdSn4Sb5 _chemical_formula_sum 'Ti12 Cd1 Sn4 Sb5' _cell_volume 417.72018971 _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 0.84382400 0.68764899 0.75921062 1.0 Ti Ti1 1 0.16155073 0.84637020 0.24114014 1.0 Ti Ti2 1 0.68481947 0.84637020 0.24114014 1.0 Ti Ti3 1 0.31061794 0.15438125 0.75899911 1.0 Ti Ti4 1 0.84376431 0.15438125 0.75899911 1.0 Ti Ti5 1 0.15347355 0.30694609 0.24080404 1.0 Ti Ti6 1 0.50014764 0.00029628 0.49940896 1.0 Ti Ti7 1 0.49812757 0.49989739 0.99962285 1.0 Ti Ti8 1 0.00176982 0.49989739 0.99962285 1.0 Ti Ti9 1 0.00196012 0.50043662 0.50003251 1.0 Ti Ti10 1 0.50006950 0.00014000 0.00052439 1.0 Ti Ti11 1 0.49847550 0.50043662 0.50003251 1.0 Cd Cd12 1 0.99767176 0.99534452 0.49956584 1.0 Sn Sn13 1 0.80140027 0.60280055 0.25590787 1.0 Sn Sn14 1 0.66824017 0.33648035 0.75577301 1.0 Sn Sn15 1 0.33237434 0.66475169 0.24358635 1.0 Sn Sn16 1 0.99790632 0.99581263 0.00208833 1.0 Sb Sb17 1 0.19913785 0.39827569 0.74388459 1.0 Sb Sb18 1 0.79948277 0.20374342 0.25615985 1.0 Sb Sb19 1 0.40426065 0.20374342 0.25615985 1.0 Sb Sb20 1 0.59979215 0.80092572 0.74366853 1.0 Sb Sb21 1 0.20113357 0.80092572 0.74366853 1.0