# generated using pymatgen data_Ta3Nb4(GaAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52611998 _cell_length_b 7.94743400 _cell_length_c 14.26298450 _cell_angle_alpha 104.10765167 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.81713718 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Nb4(GaAs)2 _chemical_formula_sum 'Ta6 Nb8 Ga4 As4' _cell_volume 377.36775192 _cell_formula_units_Z 2 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 0.00000000 0.00000000 1.0 Ta Ta1 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta2 1 0.42888389 0.85776778 0.82665555 1.0 Ta Ta3 1 0.57111611 0.14223222 0.17334445 1.0 Ta Ta4 1 0.19820828 0.39641856 0.30665701 1.0 Ta Ta5 1 0.80179172 0.60358144 0.69334299 1.0 Nb Nb6 1 0.20983022 0.41966144 0.79577394 1.0 Nb Nb7 1 0.79016978 0.58033856 0.20422606 1.0 Nb Nb8 1 0.33558958 0.67117815 0.03350816 1.0 Nb Nb9 1 0.66441042 0.32882185 0.96649184 1.0 Nb Nb10 1 0.00042537 0.00085074 0.66172184 1.0 Nb Nb11 1 0.99957463 0.99914926 0.33827816 1.0 Nb Nb12 1 0.17855272 0.35710445 0.54876572 1.0 Nb Nb13 1 0.82144728 0.64289555 0.45123428 1.0 Ga Ga14 1 0.17505441 0.35010882 0.10682760 1.0 Ga Ga15 1 0.82494559 0.64989118 0.89317240 1.0 Ga Ga16 1 0.36921457 0.73842813 0.59800726 1.0 Ga Ga17 1 0.63078543 0.26157187 0.40199274 1.0 As As18 1 0.37354480 0.74708960 0.33509763 1.0 As As19 1 0.62645520 0.25291040 0.66490237 1.0 As As20 1 0.06196916 0.12394133 0.84722817 1.0 As As21 1 0.93803084 0.87605867 0.15277183 1.0