# generated using pymatgen data_Y2Ti3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05911735 _cell_length_b 7.05911735 _cell_length_c 12.95246533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Ti3Si4 _chemical_formula_sum 'Y8 Ti12 Si16' _cell_volume 645.43608353 _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 Y Y0 1 0.34118043 0.00052847 0.46620787 1.0 Y Y1 1 0.65881857 0.99947253 0.96620787 1.0 Y Y2 1 0.84118043 0.49947253 0.28379213 1.0 Y Y3 1 0.15881957 0.50052847 0.78379213 1.0 Y Y4 1 0.99947253 0.65881857 0.03379213 1.0 Y Y5 1 0.00052847 0.34118043 0.53379213 1.0 Y Y6 1 0.50052847 0.15881957 0.21620787 1.0 Y Y7 1 0.49947253 0.84118043 0.71620787 1.0 Ti Ti8 1 0.32810339 0.32810339 0.00000000 1.0 Ti Ti9 1 0.67189661 0.67189661 0.50000000 1.0 Ti Ti10 1 0.82810439 0.17189661 0.75000000 1.0 Ti Ti11 1 0.17189661 0.82810439 0.25000000 1.0 Ti Ti12 1 0.15301362 0.00833142 0.87615484 1.0 Ti Ti13 1 0.84698738 0.99166858 0.37615384 1.0 Ti Ti14 1 0.65301362 0.49166858 0.87384516 1.0 Ti Ti15 1 0.34698638 0.50833242 0.37384516 1.0 Ti Ti16 1 0.99166858 0.84698738 0.62384516 1.0 Ti Ti17 1 0.00833142 0.15301362 0.12384516 1.0 Ti Ti18 1 0.50833242 0.34698638 0.62615384 1.0 Ti Ti19 1 0.49166858 0.65301362 0.12615484 1.0 Si Si20 1 0.28977523 0.95171705 0.06423932 1.0 Si Si21 1 0.71022377 0.04828395 0.56424032 1.0 Si Si22 1 0.78977623 0.54828395 0.68576068 1.0 Si Si23 1 0.21022477 0.45171605 0.18576068 1.0 Si Si24 1 0.04828395 0.71022377 0.43576068 1.0 Si Si25 1 0.95171705 0.28977523 0.93576068 1.0 Si Si26 1 0.45171605 0.21022477 0.81424032 1.0 Si Si27 1 0.54828395 0.78977623 0.31423932 1.0 Si Si28 1 0.20371874 0.12975508 0.68392565 1.0 Si Si29 1 0.79628026 0.87024492 0.18392565 1.0 Si Si30 1 0.70371874 0.37024492 0.06607335 1.0 Si Si31 1 0.29628126 0.62975608 0.56607335 1.0 Si Si32 1 0.87024492 0.79628026 0.81607435 1.0 Si Si33 1 0.12975508 0.20371874 0.31607335 1.0 Si Si34 1 0.62975608 0.29628126 0.43392565 1.0 Si Si35 1 0.37024492 0.70371874 0.93392565 1.0