# generated using pymatgen data_Ti3(VSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51130949 _cell_length_b 6.51130949 _cell_length_c 12.00223871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3(VSi2)2 _chemical_formula_sum 'Ti12 V8 Si16' _cell_volume 508.86072977 _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 0.00441673 0.33945147 0.21990505 1.0 Ti Ti1 1 0.16054853 0.50441673 0.46990505 1.0 Ti Ti2 1 0.83945147 0.49558327 0.96990505 1.0 Ti Ti3 1 0.50441673 0.16054853 0.53009495 1.0 Ti Ti4 1 0.49558327 0.83945147 0.03009495 1.0 Ti Ti5 1 0.99558327 0.66054853 0.71990505 1.0 Ti Ti6 1 0.33945147 0.00441673 0.78009495 1.0 Ti Ti7 1 0.66054853 0.99558327 0.28009495 1.0 Ti Ti8 1 0.16549285 0.16549285 0.00000000 1.0 Ti Ti9 1 0.33450715 0.66549285 0.25000000 1.0 Ti Ti10 1 0.66549285 0.33450715 0.75000000 1.0 Ti Ti11 1 0.83450715 0.83450715 0.50000000 1.0 V V12 1 0.99368380 0.15572061 0.62141105 1.0 V V13 1 0.34427939 0.49368380 0.87141105 1.0 V V14 1 0.65572061 0.50631620 0.37141105 1.0 V V15 1 0.49368380 0.34427939 0.12858895 1.0 V V16 1 0.50631620 0.65572061 0.62858895 1.0 V V17 1 0.00631620 0.84427939 0.12141105 1.0 V V18 1 0.15572061 0.99368380 0.37858895 1.0 V V19 1 0.84427939 0.00631620 0.87858895 1.0 Si Si20 1 0.04209606 0.29747737 0.81191444 1.0 Si Si21 1 0.20252263 0.54209606 0.06191444 1.0 Si Si22 1 0.79747737 0.45790394 0.56191444 1.0 Si Si23 1 0.54209606 0.20252263 0.93808556 1.0 Si Si24 1 0.45790394 0.79747737 0.43808556 1.0 Si Si25 1 0.95790394 0.70252263 0.31191444 1.0 Si Si26 1 0.29747737 0.04209606 0.18808556 1.0 Si Si27 1 0.70252263 0.95790394 0.68808556 1.0 Si Si28 1 0.29010321 0.36827629 0.67234110 1.0 Si Si29 1 0.13172371 0.79010321 0.92234110 1.0 Si Si30 1 0.86827629 0.20989679 0.42234110 1.0 Si Si31 1 0.79010321 0.13172371 0.07765890 1.0 Si Si32 1 0.20989679 0.86827629 0.57765890 1.0 Si Si33 1 0.70989679 0.63172371 0.17234110 1.0 Si Si34 1 0.36827629 0.29010321 0.32765890 1.0 Si Si35 1 0.63172371 0.70989679 0.82765890 1.0