# generated using pymatgen data_Hf9FeRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41606656 _cell_length_b 8.53338682 _cell_length_c 8.53338682 _cell_angle_alpha 120.00010591 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9FeRe4 _chemical_formula_sum 'Hf18 Fe2 Re8' _cell_volume 530.74045841 _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 0.55945717 0.79966573 0.59933893 1.0 Hf Hf1 1 0.55946841 0.79965776 0.20034224 1.0 Hf Hf2 1 0.55945717 0.40066107 0.20033427 1.0 Hf Hf3 1 0.44054283 0.20033427 0.40066107 1.0 Hf Hf4 1 0.44053159 0.20034224 0.79965776 1.0 Hf Hf5 1 0.44054283 0.59933893 0.79966573 1.0 Hf Hf6 1 0.05945717 0.20033427 0.40066107 1.0 Hf Hf7 1 0.05946841 0.20034224 0.79965776 1.0 Hf Hf8 1 0.05945717 0.59933893 0.79966573 1.0 Hf Hf9 1 0.94054283 0.79966573 0.59933893 1.0 Hf Hf10 1 0.94053159 0.79965776 0.20034224 1.0 Hf Hf11 1 0.94054283 0.40066107 0.20033427 1.0 Hf Hf12 1 0.75000000 0.45984203 0.91970558 1.0 Hf Hf13 1 0.75000000 0.45984799 0.54015201 1.0 Hf Hf14 1 0.75000000 0.08029442 0.54015697 1.0 Hf Hf15 1 0.25000000 0.54015697 0.08029442 1.0 Hf Hf16 1 0.25000000 0.54015201 0.45984799 1.0 Hf Hf17 1 0.25000000 0.91970558 0.45984203 1.0 Fe Fe18 1 0.75000000 0.66664976 0.33335024 1.0 Fe Fe19 1 0.25000000 0.33335024 0.66664976 1.0 Re Re20 1 0.75000000 0.11090719 0.22184111 1.0 Re Re21 1 0.75000000 0.11091345 0.88908655 1.0 Re Re22 1 0.75000000 0.77815889 0.88909281 1.0 Re Re23 1 0.25000000 0.88909281 0.77815889 1.0 Re Re24 1 0.25000000 0.88908655 0.11091345 1.0 Re Re25 1 0.25000000 0.22184111 0.11090719 1.0 Re Re26 1 0.50000000 0.00000000 -0.00000000 1.0 Re Re27 1 -0.00000000 0.00000000 -0.00000000 1.0