# generated using pymatgen data_Hf2V3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42294901 _cell_length_b 6.57022285 _cell_length_c 12.44241639 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2V3Si4 _chemical_formula_sum 'Hf8 V12 Si16' _cell_volume 525.07253907 _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 Hf Hf0 1 0.99510583 0.17053819 0.09455102 1.0 Hf Hf1 1 0.00489417 0.82946181 0.90544898 1.0 Hf Hf2 1 0.50489417 0.67053819 0.90544898 1.0 Hf Hf3 1 0.00489417 0.82946181 0.59455102 1.0 Hf Hf4 1 0.49510583 0.32946181 0.09455102 1.0 Hf Hf5 1 0.99510583 0.17053819 0.40544898 1.0 Hf Hf6 1 0.49510583 0.32946181 0.40544898 1.0 Hf Hf7 1 0.50489417 0.67053819 0.59455102 1.0 V V8 1 0.16453607 0.49435761 0.75000000 1.0 V V9 1 0.83546393 0.50564239 0.25000000 1.0 V V10 1 0.33546393 0.99435761 0.25000000 1.0 V V11 1 0.66453607 0.00564239 0.75000000 1.0 V V12 1 0.33621472 0.16878044 0.62415632 1.0 V V13 1 0.66378528 0.83121956 0.37584368 1.0 V V14 1 0.16378528 0.66878044 0.37584368 1.0 V V15 1 0.66378528 0.83121956 0.12415632 1.0 V V16 1 0.83621472 0.33121956 0.62415632 1.0 V V17 1 0.33621472 0.16878044 0.87584368 1.0 V V18 1 0.83621472 0.33121956 0.87584368 1.0 V V19 1 0.16378528 0.66878044 0.12415632 1.0 Si Si20 1 0.03703992 0.12643475 0.75000000 1.0 Si Si21 1 0.96296008 0.87356525 0.25000000 1.0 Si Si22 1 0.46296008 0.62643475 0.25000000 1.0 Si Si23 1 0.53703992 0.37356525 0.75000000 1.0 Si Si24 1 0.30174046 0.86797003 0.75000000 1.0 Si Si25 1 0.69825954 0.13202997 0.25000000 1.0 Si Si26 1 0.19825954 0.36797003 0.25000000 1.0 Si Si27 1 0.80174046 0.63202997 0.75000000 1.0 Si Si28 1 0.16803932 0.45761204 0.54060058 1.0 Si Si29 1 0.83196068 0.54238796 0.45939942 1.0 Si Si30 1 0.33196068 0.95761204 0.45939942 1.0 Si Si31 1 0.83196068 0.54238796 0.04060058 1.0 Si Si32 1 0.66803932 0.04238796 0.54060058 1.0 Si Si33 1 0.16803932 0.45761204 0.95939942 1.0 Si Si34 1 0.66803932 0.04238796 0.95939942 1.0 Si Si35 1 0.33196068 0.95761204 0.04060058 1.0