# generated using pymatgen data_Hf9BeCrRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48097896 _cell_length_b 8.48097905 _cell_length_c 8.45004153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999964 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9BeCrRe3 _chemical_formula_sum 'Hf18 Be2 Cr2 Re6' _cell_volume 526.35827268 _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 0.19616592 0.80383408 0.44651925 1.0 Hf Hf1 1 0.19616592 0.39233284 0.44651925 1.0 Hf Hf2 1 0.60766716 0.80383408 0.44651925 1.0 Hf Hf3 1 0.80383408 0.19616592 0.55348075 1.0 Hf Hf4 1 0.80383408 0.60766716 0.55348075 1.0 Hf Hf5 1 0.39233284 0.19616592 0.55348075 1.0 Hf Hf6 1 0.80383408 0.19616592 0.94651925 1.0 Hf Hf7 1 0.80383408 0.60766716 0.94651925 1.0 Hf Hf8 1 0.39233284 0.19616592 0.94651925 1.0 Hf Hf9 1 0.19616592 0.80383408 0.05348075 1.0 Hf Hf10 1 0.19616592 0.39233284 0.05348075 1.0 Hf Hf11 1 0.60766716 0.80383408 0.05348075 1.0 Hf Hf12 1 0.53968465 0.46031535 0.25000000 1.0 Hf Hf13 1 0.53968465 0.07936831 0.25000000 1.0 Hf Hf14 1 0.92063169 0.46031535 0.25000000 1.0 Hf Hf15 1 0.46031535 0.53968465 0.75000000 1.0 Hf Hf16 1 0.46031535 0.92063169 0.75000000 1.0 Hf Hf17 1 0.07936831 0.53968465 0.75000000 1.0 Be Be18 1 0.33333300 0.66666700 0.25000000 1.0 Be Be19 1 0.66666700 0.33333300 0.75000000 1.0 Cr Cr20 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr21 1 0.00000000 0.00000000 0.00000000 1.0 Re Re22 1 0.89149745 0.10850255 0.25000000 1.0 Re Re23 1 0.89149745 0.78299590 0.25000000 1.0 Re Re24 1 0.21700410 0.10850255 0.25000000 1.0 Re Re25 1 0.10850255 0.89149745 0.75000000 1.0 Re Re26 1 0.10850255 0.21700410 0.75000000 1.0 Re Re27 1 0.78299590 0.89149745 0.75000000 1.0