# generated using pymatgen data_Hf9AlRe3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57551226 _cell_length_b 8.57551277 _cell_length_c 8.44064557 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000189 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9AlRe3P _chemical_formula_sum 'Hf18 Al2 Re6 P2' _cell_volume 537.55939695 _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 0.19404555 0.80595445 0.44668193 1.0 Hf Hf1 1 0.19404555 0.38808909 0.44668193 1.0 Hf Hf2 1 0.61191091 0.80595445 0.44668193 1.0 Hf Hf3 1 0.80595445 0.19404555 0.55331807 1.0 Hf Hf4 1 0.80595445 0.61191091 0.55331807 1.0 Hf Hf5 1 0.38808909 0.19404555 0.55331807 1.0 Hf Hf6 1 0.80595445 0.19404555 0.94668193 1.0 Hf Hf7 1 0.80595445 0.61191091 0.94668193 1.0 Hf Hf8 1 0.38808909 0.19404555 0.94668193 1.0 Hf Hf9 1 0.19404555 0.80595445 0.05331807 1.0 Hf Hf10 1 0.19404555 0.38808909 0.05331807 1.0 Hf Hf11 1 0.61191091 0.80595445 0.05331807 1.0 Hf Hf12 1 0.54538722 0.45461278 0.25000000 1.0 Hf Hf13 1 0.54538722 0.09077343 0.25000000 1.0 Hf Hf14 1 0.90922657 0.45461278 0.25000000 1.0 Hf Hf15 1 0.45461278 0.54538722 0.75000000 1.0 Hf Hf16 1 0.45461278 0.90922657 0.75000000 1.0 Hf Hf17 1 0.09077343 0.54538722 0.75000000 1.0 Al Al18 1 0.00000000 0.00000000 0.50000000 1.0 Al Al19 1 0.00000000 0.00000000 0.00000000 1.0 Re Re20 1 0.88715186 0.11284814 0.25000000 1.0 Re Re21 1 0.88715186 0.77430272 0.25000000 1.0 Re Re22 1 0.22569728 0.11284814 0.25000000 1.0 Re Re23 1 0.11284814 0.88715186 0.75000000 1.0 Re Re24 1 0.11284814 0.22569728 0.75000000 1.0 Re Re25 1 0.77430272 0.88715186 0.75000000 1.0 P P26 1 0.33333300 0.66666700 0.25000000 1.0 P P27 1 0.66666700 0.33333300 0.75000000 1.0