# generated using pymatgen data_Hf9TiRe3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63068914 _cell_length_b 8.63068955 _cell_length_c 8.55506456 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999842 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9TiRe3As _chemical_formula_sum 'Hf18 Ti2 Re6 As2' _cell_volume 551.88031011 _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 0.19334356 0.80665644 0.45175496 1.0 Hf Hf1 1 0.19334356 0.38668513 0.45175496 1.0 Hf Hf2 1 0.61331487 0.80665644 0.45175496 1.0 Hf Hf3 1 0.80665644 0.19334356 0.54824504 1.0 Hf Hf4 1 0.80665644 0.61331487 0.54824504 1.0 Hf Hf5 1 0.38668513 0.19334356 0.54824504 1.0 Hf Hf6 1 0.80665644 0.19334356 0.95175496 1.0 Hf Hf7 1 0.80665644 0.61331487 0.95175496 1.0 Hf Hf8 1 0.38668513 0.19334356 0.95175496 1.0 Hf Hf9 1 0.19334356 0.80665644 0.04824504 1.0 Hf Hf10 1 0.19334356 0.38668513 0.04824504 1.0 Hf Hf11 1 0.61331487 0.80665644 0.04824504 1.0 Hf Hf12 1 0.54393858 0.45606142 0.25000000 1.0 Hf Hf13 1 0.54393858 0.08787617 0.25000000 1.0 Hf Hf14 1 0.91212383 0.45606142 0.25000000 1.0 Hf Hf15 1 0.45606142 0.54393858 0.75000000 1.0 Hf Hf16 1 0.45606142 0.91212383 0.75000000 1.0 Hf Hf17 1 0.08787617 0.54393858 0.75000000 1.0 Ti Ti18 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti19 1 0.00000000 0.00000000 0.00000000 1.0 Re Re20 1 0.88845818 0.11154182 0.25000000 1.0 Re Re21 1 0.88845818 0.77691436 0.25000000 1.0 Re Re22 1 0.22308564 0.11154182 0.25000000 1.0 Re Re23 1 0.11154182 0.88845818 0.75000000 1.0 Re Re24 1 0.11154182 0.22308564 0.75000000 1.0 Re Re25 1 0.77691436 0.88845818 0.75000000 1.0 As As26 1 0.33333300 0.66666700 0.25000000 1.0 As As27 1 0.66666700 0.33333300 0.75000000 1.0