# generated using pymatgen data_Ti8In5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.01215000 _cell_length_b 10.01215000 _cell_length_c 10.01215000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8In5 _chemical_formula_sum 'Ti32 In20' _cell_volume 1003.64943047 _cell_formula_units_Z 4 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 0.48196600 0.83177300 0.16822700 1.0 Ti Ti1 1 0.83177300 0.83177300 0.51803400 1.0 Ti Ti2 1 0.83177300 0.48196600 0.16822700 1.0 Ti Ti3 1 0.48196600 0.16822700 0.83177300 1.0 Ti Ti4 1 0.83177300 0.16822700 0.48196600 1.0 Ti Ti5 1 0.83177300 0.51803400 0.83177300 1.0 Ti Ti6 1 0.51803400 0.83177300 0.83177300 1.0 Ti Ti7 1 0.16822700 0.83177300 0.48196600 1.0 Ti Ti8 1 0.16822700 0.48196600 0.83177300 1.0 Ti Ti9 1 0.51803400 0.16822700 0.16822700 1.0 Ti Ti10 1 0.16822700 0.16822700 0.51803400 1.0 Ti Ti11 1 0.16822700 0.51803400 0.16822700 1.0 Ti Ti12 1 0.50000000 0.50000000 0.13966400 1.0 Ti Ti13 1 0.50000000 0.86033600 0.50000000 1.0 Ti Ti14 1 0.86033600 0.50000000 0.50000000 1.0 Ti Ti15 1 0.50000000 0.50000000 0.86033600 1.0 Ti Ti16 1 0.50000000 0.13966400 0.50000000 1.0 Ti Ti17 1 0.13966400 0.50000000 0.50000000 1.0 Ti Ti18 1 0.00000000 0.00000000 0.35722900 1.0 Ti Ti19 1 0.00000000 0.64277100 0.00000000 1.0 Ti Ti20 1 0.64277100 0.00000000 0.00000000 1.0 Ti Ti21 1 0.00000000 0.00000000 0.64277100 1.0 Ti Ti22 1 0.00000000 0.35722900 0.00000000 1.0 Ti Ti23 1 0.35722900 0.00000000 0.00000000 1.0 Ti Ti24 1 0.90316000 0.90316000 0.09684000 1.0 Ti Ti25 1 0.90316000 0.09684000 0.90316000 1.0 Ti Ti26 1 0.09684000 0.90316000 0.90316000 1.0 Ti Ti27 1 0.09684000 0.09684000 0.09684000 1.0 Ti Ti28 1 0.17093600 0.17093600 0.82906400 1.0 Ti Ti29 1 0.17093600 0.82906400 0.17093600 1.0 Ti Ti30 1 0.82906400 0.17093600 0.17093600 1.0 Ti Ti31 1 0.82906400 0.82906400 0.82906400 1.0 In In32 1 0.97452900 0.68983800 0.31016200 1.0 In In33 1 0.68983800 0.68983800 0.02547100 1.0 In In34 1 0.68983800 0.97452900 0.31016200 1.0 In In35 1 0.97452900 0.31016200 0.68983800 1.0 In In36 1 0.68983800 0.31016200 0.97452900 1.0 In In37 1 0.68983800 0.02547100 0.68983800 1.0 In In38 1 0.02547100 0.68983800 0.68983800 1.0 In In39 1 0.31016200 0.68983800 0.97452900 1.0 In In40 1 0.31016200 0.97452900 0.68983800 1.0 In In41 1 0.02547100 0.31016200 0.31016200 1.0 In In42 1 0.31016200 0.31016200 0.02547100 1.0 In In43 1 0.31016200 0.02547100 0.31016200 1.0 In In44 1 0.65993000 0.65993000 0.34007000 1.0 In In45 1 0.65993000 0.34007000 0.65993000 1.0 In In46 1 0.34007000 0.65993000 0.65993000 1.0 In In47 1 0.34007000 0.34007000 0.34007000 1.0 In In48 1 0.35052600 0.35052600 0.64947400 1.0 In In49 1 0.35052600 0.64947400 0.35052600 1.0 In In50 1 0.64947400 0.35052600 0.35052600 1.0 In In51 1 0.64947400 0.64947400 0.64947400 1.0