# generated using pymatgen data_Ti3Cr17Si12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63724700 _cell_length_b 6.88883515 _cell_length_c 12.97819544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.66845892 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Cr17Si12 _chemical_formula_sum 'Ti3 Cr17 Si12' _cell_volume 390.40250524 _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 0.99971400 0.50000000 0.75000000 1.0 Ti Ti1 1 0.99936400 0.50000000 0.25000000 1.0 Ti Ti2 1 0.49962600 0.50000000 0.75000000 1.0 Cr Cr3 1 0.92447100 0.84434100 0.35006000 1.0 Cr Cr4 1 0.42206800 0.84462500 0.85237000 1.0 Cr Cr5 1 0.58013000 0.15565900 0.14994000 1.0 Cr Cr6 1 0.07744200 0.15537500 0.64763000 1.0 Cr Cr7 1 0.14651600 0.29651600 0.07890900 1.0 Cr Cr8 1 0.64783200 0.29602000 0.57626300 1.0 Cr Cr9 1 0.35000000 0.70348400 0.42109100 1.0 Cr Cr10 1 0.85181200 0.70398000 0.92373700 1.0 Cr Cr11 1 0.35000000 0.70348400 0.07890900 1.0 Cr Cr12 1 0.85181200 0.70398000 0.57626300 1.0 Cr Cr13 1 0.14651600 0.29651600 0.42109100 1.0 Cr Cr14 1 0.64783200 0.29602000 0.92373700 1.0 Cr Cr15 1 0.58013000 0.15565900 0.35006000 1.0 Cr Cr16 1 0.07744200 0.15537500 0.85237000 1.0 Cr Cr17 1 0.92447100 0.84434100 0.14994000 1.0 Cr Cr18 1 0.42206800 0.84462500 0.64763000 1.0 Cr Cr19 1 0.50060000 0.50000000 0.25000000 1.0 Si Si20 1 0.25031300 0.00074700 0.00066400 1.0 Si Si21 1 0.74956600 0.99925300 0.49933600 1.0 Si Si22 1 0.74956600 0.99925300 0.00066400 1.0 Si Si23 1 0.25031300 0.00074700 0.49933600 1.0 Si Si24 1 0.74116700 0.50000000 0.07793600 1.0 Si Si25 1 0.24850400 0.50000000 0.57453300 1.0 Si Si26 1 0.74116700 0.50000000 0.42206400 1.0 Si Si27 1 0.24850400 0.50000000 0.92546700 1.0 Si Si28 1 0.43296900 0.84508500 0.25000000 1.0 Si Si29 1 0.92510500 0.85001100 0.75000000 1.0 Si Si30 1 0.08788300 0.15491500 0.25000000 1.0 Si Si31 1 0.57509400 0.14998900 0.75000000 1.0