# generated using pymatgen data_Hf5(ReTc)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39681845 _cell_length_b 8.39681857 _cell_length_c 8.39681899 _cell_angle_alpha 109.47121692 _cell_angle_beta 109.47121721 _cell_angle_gamma 109.47122712 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5(ReTc)12 _chemical_formula_sum 'Hf5 Re12 Tc12' _cell_volume 455.74554998 _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 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.62437803 1.00000000 1.00000000 1.0 Hf Hf2 1 1.00000000 0.62437803 1.00000000 1.0 Hf Hf3 1 0.00000000 0.00000000 0.62437803 1.0 Hf Hf4 1 0.37562197 0.37562197 0.37562197 1.0 Re Re5 1 0.37576524 0.19430575 0.00000000 1.0 Re Re6 1 0.18146048 0.80569425 0.80569425 1.0 Re Re7 1 0.37576524 0.00000000 0.19430575 1.0 Re Re8 1 0.19430575 0.37576524 0.00000000 1.0 Re Re9 1 0.00000000 0.37576524 0.19430575 1.0 Re Re10 1 0.80569425 0.18146048 0.80569425 1.0 Re Re11 1 0.80569425 0.80569425 0.18146048 1.0 Re Re12 1 1.00000000 0.19430575 0.37576524 1.0 Re Re13 1 0.19430575 1.00000000 0.37576524 1.0 Re Re14 1 0.62423476 0.62423476 0.81853952 1.0 Re Re15 1 0.81853952 0.62423476 0.62423476 1.0 Re Re16 1 0.62423476 0.81853952 0.62423476 1.0 Tc Tc17 1 0.39590407 0.67614051 1.00000000 1.0 Tc Tc18 1 0.71976456 0.32385949 0.32385949 1.0 Tc Tc19 1 0.39590407 0.00000000 0.67614051 1.0 Tc Tc20 1 0.67614051 0.39590407 1.00000000 1.0 Tc Tc21 1 0.00000000 0.39590407 0.67614051 1.0 Tc Tc22 1 0.32385949 0.71976456 0.32385949 1.0 Tc Tc23 1 0.32385949 0.32385949 0.71976456 1.0 Tc Tc24 1 0.00000000 0.67614051 0.39590407 1.0 Tc Tc25 1 0.67614051 1.00000000 0.39590407 1.0 Tc Tc26 1 0.60409593 0.60409593 0.28023544 1.0 Tc Tc27 1 0.28023544 0.60409593 0.60409593 1.0 Tc Tc28 1 0.60409593 0.28023544 0.60409593 1.0