# generated using pymatgen data_Hf9FeMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42665100 _cell_length_b 8.66901569 _cell_length_c 8.66901569 _cell_angle_alpha 120.04062473 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9FeMo4 _chemical_formula_sum 'Hf18 Fe2 Mo8' _cell_volume 548.21042233 _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 0.55720000 0.79796600 0.59607900 1.0 Hf Hf1 1 0.55727300 0.79802300 0.20197700 1.0 Hf Hf2 1 0.55720000 0.40392100 0.20203400 1.0 Hf Hf3 1 0.44280000 0.20203400 0.40392100 1.0 Hf Hf4 1 0.44272700 0.20197700 0.79802300 1.0 Hf Hf5 1 0.44280000 0.59607900 0.79796600 1.0 Hf Hf6 1 0.05720000 0.20203400 0.40392100 1.0 Hf Hf7 1 0.05727300 0.20197700 0.79802300 1.0 Hf Hf8 1 0.05720000 0.59607900 0.79796600 1.0 Hf Hf9 1 0.94280000 0.79796600 0.59607900 1.0 Hf Hf10 1 0.94272700 0.79802300 0.20197700 1.0 Hf Hf11 1 0.94280000 0.40392100 0.20203400 1.0 Hf Hf12 1 0.75000000 0.45969700 0.91939500 1.0 Hf Hf13 1 0.75000000 0.45972100 0.54027900 1.0 Hf Hf14 1 0.75000000 0.08060500 0.54030300 1.0 Hf Hf15 1 0.25000000 0.54030300 0.08060500 1.0 Hf Hf16 1 0.25000000 0.54027900 0.45972100 1.0 Hf Hf17 1 0.25000000 0.91939500 0.45969700 1.0 Fe Fe18 1 0.75000000 0.66658400 0.33341600 1.0 Fe Fe19 1 0.25000000 0.33341600 0.66658400 1.0 Mo Mo20 1 0.75000000 0.11277300 0.22541900 1.0 Mo Mo21 1 0.75000000 0.11264600 0.88735400 1.0 Mo Mo22 1 0.75000000 0.77458100 0.88722700 1.0 Mo Mo23 1 0.25000000 0.88722700 0.77458100 1.0 Mo Mo24 1 0.25000000 0.88735400 0.11264600 1.0 Mo Mo25 1 0.25000000 0.22541900 0.11277300 1.0 Mo Mo26 1 0.50000000 0.00000000 0.00000000 1.0 Mo Mo27 1 0.00000000 0.00000000 0.00000000 1.0