# generated using pymatgen data_Zr2V3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61332310 _cell_length_b 6.61332310 _cell_length_c 12.24764449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2V3Si4 _chemical_formula_sum 'Zr8 V12 Si16' _cell_volume 535.66349855 _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 Zr Zr0 1 0.00305525 0.66120032 0.03061637 1.0 Zr Zr1 1 0.99694475 0.33879968 0.53061637 1.0 Zr Zr2 1 0.66120032 0.00305525 0.96938363 1.0 Zr Zr3 1 0.16120032 0.49694475 0.78061637 1.0 Zr Zr4 1 0.83879968 0.50305525 0.28061637 1.0 Zr Zr5 1 0.49694475 0.16120032 0.21938363 1.0 Zr Zr6 1 0.50305525 0.83879968 0.71938363 1.0 Zr Zr7 1 0.33879968 0.99694475 0.46938363 1.0 V V8 1 0.34005143 0.50558026 0.37631751 1.0 V V9 1 0.84005143 0.99441974 0.37368249 1.0 V V10 1 0.00558026 0.15994857 0.12631751 1.0 V V11 1 0.99441974 0.84005143 0.62631751 1.0 V V12 1 0.65994857 0.49441974 0.87631751 1.0 V V13 1 0.50558026 0.34005143 0.62368249 1.0 V V14 1 0.49441974 0.65994857 0.12368249 1.0 V V15 1 0.15994857 0.00558026 0.87368249 1.0 V V16 1 0.66735044 0.66735044 0.50000000 1.0 V V17 1 0.83264956 0.16735044 0.75000000 1.0 V V18 1 0.16735044 0.83264956 0.25000000 1.0 V V19 1 0.33264956 0.33264956 0.00000000 1.0 Si Si20 1 0.04045841 0.71039272 0.43593506 1.0 Si Si21 1 0.95954159 0.28960728 0.93593506 1.0 Si Si22 1 0.71039272 0.04045841 0.56406494 1.0 Si Si23 1 0.21039272 0.45954159 0.18593506 1.0 Si Si24 1 0.78960728 0.54045841 0.68593506 1.0 Si Si25 1 0.45954159 0.21039272 0.81406494 1.0 Si Si26 1 0.54045841 0.78960728 0.31406494 1.0 Si Si27 1 0.28960728 0.95954159 0.06406494 1.0 Si Si28 1 0.87429270 0.79442882 0.82064456 1.0 Si Si29 1 0.12570730 0.20557118 0.32064456 1.0 Si Si30 1 0.79442882 0.87429270 0.17935544 1.0 Si Si31 1 0.29442882 0.62570730 0.57064456 1.0 Si Si32 1 0.70557118 0.37429270 0.07064456 1.0 Si Si33 1 0.62570730 0.29442882 0.42935544 1.0 Si Si34 1 0.37429270 0.70557118 0.92935544 1.0 Si Si35 1 0.20557118 0.12570730 0.67935544 1.0