# generated using pymatgen data_Hf18Re8NiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55333568 _cell_length_b 8.55333591 _cell_length_c 8.56305969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999909 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Re8NiSe _chemical_formula_sum 'Hf18 Re8 Ni1 Se1' _cell_volume 542.53861195 _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 0.19158121 0.80841879 0.45135843 1.0 Hf Hf1 1 0.19158121 0.38316043 0.45135843 1.0 Hf Hf2 1 0.61683957 0.80841879 0.45135843 1.0 Hf Hf3 1 0.80216913 0.19783087 0.55772420 1.0 Hf Hf4 1 0.80216913 0.60434027 0.55772420 1.0 Hf Hf5 1 0.39565973 0.19783087 0.55772420 1.0 Hf Hf6 1 0.80216913 0.19783087 0.94227580 1.0 Hf Hf7 1 0.80216913 0.60434027 0.94227580 1.0 Hf Hf8 1 0.39565973 0.19783087 0.94227580 1.0 Hf Hf9 1 0.19158121 0.80841879 0.04864157 1.0 Hf Hf10 1 0.19158121 0.38316043 0.04864157 1.0 Hf Hf11 1 0.61683957 0.80841879 0.04864157 1.0 Hf Hf12 1 0.54558694 0.45441306 0.25000000 1.0 Hf Hf13 1 0.54558694 0.09117289 0.25000000 1.0 Hf Hf14 1 0.90882711 0.45441306 0.25000000 1.0 Hf Hf15 1 0.45855947 0.54144053 0.75000000 1.0 Hf Hf16 1 0.45855947 0.91711893 0.75000000 1.0 Hf Hf17 1 0.08288107 0.54144053 0.75000000 1.0 Re Re18 1 0.88983609 0.11016391 0.25000000 1.0 Re Re19 1 0.88983609 0.77967018 0.25000000 1.0 Re Re20 1 0.22032982 0.11016391 0.25000000 1.0 Re Re21 1 0.11046059 0.88953941 0.75000000 1.0 Re Re22 1 0.11046059 0.22092218 0.75000000 1.0 Re Re23 1 0.77907782 0.88953941 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50085713 1.0 Re Re25 1 0.00000000 0.00000000 0.99914287 1.0 Ni Ni26 1 0.66666700 0.33333300 0.75000000 1.0 Se Se27 1 0.33333300 0.66666700 0.25000000 1.0