# generated using pymatgen data_Zr9Nb2Tc2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60110505 _cell_length_b 8.69412836 _cell_length_c 8.54606302 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.64669200 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Nb2Tc2O3 _chemical_formula_sum 'Zr18 Nb4 Tc4 O6' _cell_volume 555.40808809 _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 Zr Zr0 1 0.45493312 0.90986724 0.25000000 1.0 Zr Zr1 1 0.54506688 0.09013276 0.75000000 1.0 Zr Zr2 1 0.09313774 0.54671534 0.25000000 1.0 Zr Zr3 1 0.90686226 0.45328466 0.75000000 1.0 Zr Zr4 1 0.45357761 0.54671534 0.25000000 1.0 Zr Zr5 1 0.54642239 0.45328466 0.75000000 1.0 Zr Zr6 1 0.20503788 0.41007376 0.56369056 1.0 Zr Zr7 1 0.79496212 0.58992624 0.43630944 1.0 Zr Zr8 1 0.58641186 0.79336194 0.56097308 1.0 Zr Zr9 1 0.79496212 0.58992624 0.06369056 1.0 Zr Zr10 1 0.41358814 0.20663806 0.43902692 1.0 Zr Zr11 1 0.20503788 0.41007376 0.93630944 1.0 Zr Zr12 1 0.20695108 0.79336194 0.56097308 1.0 Zr Zr13 1 0.41358814 0.20663806 0.06097308 1.0 Zr Zr14 1 0.79304892 0.20663806 0.43902692 1.0 Zr Zr15 1 0.58641186 0.79336194 0.93902692 1.0 Zr Zr16 1 0.79304892 0.20663806 0.06097308 1.0 Zr Zr17 1 0.20695108 0.79336194 0.93902692 1.0 Nb Nb18 1 0.10847097 0.21694095 0.25000000 1.0 Nb Nb19 1 0.89152903 0.78305905 0.75000000 1.0 Nb Nb20 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb21 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc22 1 0.77577302 0.88513252 0.25000000 1.0 Tc Tc23 1 0.22422698 0.11486748 0.75000000 1.0 Tc Tc24 1 0.10936050 0.88513252 0.25000000 1.0 Tc Tc25 1 0.89063950 0.11486748 0.75000000 1.0 O O26 1 0.50000000 0.00000000 0.00000000 1.0 O O27 1 0.00000000 0.50000000 0.00000000 1.0 O O28 1 0.50000000 0.00000000 0.50000000 1.0 O O29 1 0.50000000 0.50000000 0.00000000 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.50000000 0.50000000 1.0