# generated using pymatgen data_YTa6VS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77971561 _cell_length_b 5.77971603 _cell_length_c 13.03556651 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000899 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTa6VS12 _chemical_formula_sum 'Y1 Ta6 V1 S12' _cell_volume 377.11471002 _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 Y Y0 1 0.33333300 0.66666700 0.25000000 1.0 Ta Ta1 1 0.00000000 0.00000000 0.51692265 1.0 Ta Ta2 1 0.00000000 0.00000000 0.98307735 1.0 Ta Ta3 1 0.33333300 0.66666700 0.98320352 1.0 Ta Ta4 1 0.66666700 0.33333300 0.98535068 1.0 Ta Ta5 1 0.66666700 0.33333300 0.51464932 1.0 Ta Ta6 1 0.33333300 0.66666700 0.51679648 1.0 V V7 1 0.66666700 0.33333300 0.75000000 1.0 S S8 1 0.33104780 0.32918054 0.39505901 1.0 S S9 1 0.67081946 0.00186725 0.39505901 1.0 S S10 1 0.99813275 0.66895220 0.39505901 1.0 S S11 1 0.33328644 0.33288313 0.63534548 1.0 S S12 1 0.99959669 0.66671356 0.63534548 1.0 S S13 1 0.66711687 0.00040331 0.63534548 1.0 S S14 1 0.66711687 0.66671356 0.86465452 1.0 S S15 1 0.33328644 0.00040331 0.86465452 1.0 S S16 1 0.99959669 0.33288313 0.86465452 1.0 S S17 1 0.67081946 0.66895220 0.10494099 1.0 S S18 1 0.99813275 0.32918054 0.10494099 1.0 S S19 1 0.33104780 0.00186725 0.10494099 1.0