# generated using pymatgen data_NaTa9B20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17491273 _cell_length_b 7.01456327 _cell_length_c 7.33734159 _cell_angle_alpha 93.52736969 _cell_angle_beta 102.14270082 _cell_angle_gamma 116.09893310 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa9B20 _chemical_formula_sum 'Na1 Ta9 B20' _cell_volume 274.69142770 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta1 1 0.50000000 0.00000000 0.00000000 1.0 Ta Ta2 1 0.49826751 0.79871834 0.40009713 1.0 Ta Ta3 1 0.99995623 0.39722746 0.20068753 1.0 Ta Ta4 1 0.50173249 0.20128166 0.59990287 1.0 Ta Ta5 1 0.99862584 0.79375965 0.39794839 1.0 Ta Ta6 1 0.50217371 0.60134020 0.79925366 1.0 Ta Ta7 1 0.49782629 0.39865980 0.20074634 1.0 Ta Ta8 1 0.00137416 0.20624035 0.60205161 1.0 Ta Ta9 1 0.00004377 0.60277254 0.79931247 1.0 B B10 1 0.33230887 0.23271100 0.86707423 1.0 B B11 1 0.33317100 0.63275615 0.06699190 1.0 B B12 1 0.16634257 0.36573194 0.93491368 1.0 B B13 1 0.33161015 0.03201584 0.26647085 1.0 B B14 1 0.16637784 0.76732624 0.13225237 1.0 B B15 1 0.83362216 0.23267376 0.86774763 1.0 B B16 1 0.16608433 0.16520076 0.33319078 1.0 B B17 1 0.83365743 0.63426806 0.06508632 1.0 B B18 1 0.33272702 0.43262473 0.46576037 1.0 B B19 1 0.66682900 0.36724385 0.93300810 1.0 B B20 1 0.83320338 0.03212421 0.26661914 1.0 B B21 1 0.66769113 0.76728900 0.13292577 1.0 B B22 1 0.33396607 0.83528358 0.66627582 1.0 B B23 1 0.16753607 0.56759340 0.53335585 1.0 B B24 1 0.66603393 0.16471642 0.33372418 1.0 B B25 1 0.83246393 0.43240660 0.46664415 1.0 B B26 1 0.16679662 0.96787579 0.73338086 1.0 B B27 1 0.83391567 0.83479924 0.66680922 1.0 B B28 1 0.66727298 0.56737527 0.53423963 1.0 B B29 1 0.66838985 0.96798416 0.73352915 1.0