# generated using pymatgen data_Ta6Al6V4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69353122 _cell_length_b 7.69353207 _cell_length_c 5.07173896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Al6V4B _chemical_formula_sum 'Ta6 Al6 V4 B1' _cell_volume 259.97944402 _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 Ta Ta0 1 0.00000000 0.76383320 0.23891325 1.0 Ta Ta1 1 0.23616680 0.23616680 0.23891325 1.0 Ta Ta2 1 0.76383320 1.00000000 0.23891325 1.0 Ta Ta3 1 1.00000000 0.23616680 0.76108675 1.0 Ta Ta4 1 0.76383320 0.76383320 0.76108675 1.0 Ta Ta5 1 0.23616680 0.00000000 0.76108675 1.0 Al Al6 1 1.00000000 0.40851704 0.25635381 1.0 Al Al7 1 0.59148296 0.59148296 0.25635381 1.0 Al Al8 1 0.40851704 0.00000000 0.25635381 1.0 Al Al9 1 0.00000000 0.59148296 0.74364619 1.0 Al Al10 1 0.40851704 0.40851704 0.74364619 1.0 Al Al11 1 0.59148296 1.00000000 0.74364619 1.0 V V12 1 0.33333300 0.66666700 0.50000000 1.0 V V13 1 0.66666700 0.33333300 0.50000000 1.0 V V14 1 0.66666700 0.33333300 0.00000000 1.0 V V15 1 0.33333300 0.66666700 0.00000000 1.0 B B16 1 0.00000000 0.00000000 0.50000000 1.0