# generated using pymatgen data_Hf9Nb3ReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69287687 _cell_length_b 8.69284640 _cell_length_c 8.77275108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99820548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Nb3ReSi _chemical_formula_sum 'Hf18 Nb6 Re2 Si2' _cell_volume 574.11623156 _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 Hf Hf0 1 0.19834454 0.80164158 0.45317286 1.0 Hf Hf1 1 0.19835216 0.39671372 0.45318476 1.0 Hf Hf2 1 0.60328202 0.80163908 0.45318423 1.0 Hf Hf3 1 0.80165546 0.19835842 0.54682714 1.0 Hf Hf4 1 0.80164784 0.60328628 0.54681524 1.0 Hf Hf5 1 0.39671798 0.19836092 0.54681577 1.0 Hf Hf6 1 0.80165546 0.19835842 0.95317286 1.0 Hf Hf7 1 0.80164784 0.60328628 0.95318476 1.0 Hf Hf8 1 0.39671798 0.19836092 0.95318423 1.0 Hf Hf9 1 0.19834454 0.80164158 0.04682714 1.0 Hf Hf10 1 0.19835216 0.39671372 0.04681524 1.0 Hf Hf11 1 0.60328202 0.80163908 0.04681577 1.0 Hf Hf12 1 0.53644790 0.46354363 0.25000000 1.0 Hf Hf13 1 0.53645306 0.07291037 0.25000000 1.0 Hf Hf14 1 0.92709934 0.46354727 0.25000000 1.0 Hf Hf15 1 0.46355210 0.53645637 0.75000000 1.0 Hf Hf16 1 0.46354694 0.92708963 0.75000000 1.0 Hf Hf17 1 0.07290066 0.53645273 0.75000000 1.0 Nb Nb18 1 0.88885589 0.11113224 0.25000000 1.0 Nb Nb19 1 0.88885342 0.77773163 0.25000000 1.0 Nb Nb20 1 0.22226569 0.11113325 0.25000000 1.0 Nb Nb21 1 0.11114411 0.88886776 0.75000000 1.0 Nb Nb22 1 0.11114658 0.22226837 0.75000000 1.0 Nb Nb23 1 0.77773431 0.88886675 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50000000 1.0 Re Re25 1 0.00000000 0.00000000 0.00000000 1.0 Si Si26 1 0.33333505 0.66666459 0.25000000 1.0 Si Si27 1 0.66666495 0.33333541 0.75000000 1.0