# generated using pymatgen data_Hf15ZrBi18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.77640193 _cell_length_b 10.77640193 _cell_length_c 7.58400599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf15ZrBi18 _chemical_formula_sum 'Hf15 Zr1 Bi18' _cell_volume 880.73697496 _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 Hf Hf0 1 0.00010955 0.00010955 0.99987393 1.0 Hf Hf1 1 0.49989045 0.00010955 0.99987393 1.0 Hf Hf2 1 0.00010955 0.49989045 0.99987393 1.0 Hf Hf3 1 0.49989045 0.49989045 0.99987393 1.0 Hf Hf4 1 0.75000000 0.10447993 0.15569173 1.0 Hf Hf5 1 0.75000000 0.39551907 0.15569173 1.0 Hf Hf6 1 0.10447993 0.75000000 0.15569173 1.0 Hf Hf7 1 0.39551907 0.75000000 0.15569173 1.0 Hf Hf8 1 0.25000000 0.25000000 0.43341756 1.0 Hf Hf9 1 0.75000000 0.75000000 0.56745055 1.0 Hf Hf10 1 0.60426266 0.24999900 0.84467245 1.0 Hf Hf11 1 0.89573834 0.25000000 0.84467245 1.0 Hf Hf12 1 0.24999900 0.60426266 0.84467245 1.0 Hf Hf13 1 0.25000000 0.89573834 0.84467245 1.0 Hf Hf14 1 0.25000000 0.25000000 0.91983312 1.0 Zr Zr15 1 0.75000000 0.75000000 0.07909873 1.0 Bi Bi16 1 0.25000000 0.01696796 0.19403796 1.0 Bi Bi17 1 0.01696796 0.25000000 0.19403796 1.0 Bi Bi18 1 0.48303104 0.24999900 0.19403796 1.0 Bi Bi19 1 0.24999900 0.48303104 0.19403796 1.0 Bi Bi20 1 0.58425082 0.58425082 0.34958561 1.0 Bi Bi21 1 0.91574918 0.58425082 0.34958561 1.0 Bi Bi22 1 0.91574918 0.91574918 0.34958561 1.0 Bi Bi23 1 0.58425082 0.91574918 0.34958561 1.0 Bi Bi24 1 0.75000000 0.25000000 0.49974853 1.0 Bi Bi25 1 0.25000000 0.75000000 0.49974853 1.0 Bi Bi26 1 0.41547075 0.08452925 0.65072544 1.0 Bi Bi27 1 0.08452925 0.08452925 0.65072544 1.0 Bi Bi28 1 0.08452925 0.41547075 0.65072544 1.0 Bi Bi29 1 0.41547075 0.41547075 0.65072544 1.0 Bi Bi30 1 0.75000000 0.51600936 0.80559139 1.0 Bi Bi31 1 0.51600936 0.75000000 0.80559139 1.0 Bi Bi32 1 0.98399064 0.75000000 0.80559139 1.0 Bi Bi33 1 0.75000000 0.98399064 0.80559139 1.0