# generated using pymatgen data_Hf9ReMo3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63103505 _cell_length_b 8.63103475 _cell_length_c 8.65138677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000114 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9ReMo3As _chemical_formula_sum 'Hf18 Re2 Mo6 As2' _cell_volume 558.13865400 _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 0.61065548 0.80532774 0.04444428 1.0 Hf Hf1 1 0.80532774 0.61065548 0.54444428 1.0 Hf Hf2 1 0.19467226 0.38934452 0.04444428 1.0 Hf Hf3 1 0.19467226 0.80532774 0.04444428 1.0 Hf Hf4 1 0.80532774 0.19467226 0.54444428 1.0 Hf Hf5 1 0.38934452 0.19467226 0.54444428 1.0 Hf Hf6 1 0.80532774 0.61065548 0.95555572 1.0 Hf Hf7 1 0.80532774 0.19467226 0.95555572 1.0 Hf Hf8 1 0.38934452 0.19467226 0.95555572 1.0 Hf Hf9 1 0.61065548 0.80532774 0.45555572 1.0 Hf Hf10 1 0.19467226 0.80532774 0.45555572 1.0 Hf Hf11 1 0.19467226 0.38934452 0.45555572 1.0 Hf Hf12 1 0.54034329 0.08068659 0.25000000 1.0 Hf Hf13 1 0.45965671 0.91931341 0.75000000 1.0 Hf Hf14 1 0.91931341 0.45965671 0.25000000 1.0 Hf Hf15 1 0.54034329 0.45965671 0.25000000 1.0 Hf Hf16 1 0.45965671 0.54034329 0.75000000 1.0 Hf Hf17 1 0.08068659 0.54034329 0.75000000 1.0 Re Re18 1 0.00000000 0.00000000 0.00000000 1.0 Re Re19 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo20 1 0.89092776 0.78185552 0.25000000 1.0 Mo Mo21 1 0.10907224 0.21814448 0.75000000 1.0 Mo Mo22 1 0.21814448 0.10907224 0.25000000 1.0 Mo Mo23 1 0.89092776 0.10907224 0.25000000 1.0 Mo Mo24 1 0.10907224 0.89092776 0.75000000 1.0 Mo Mo25 1 0.78185552 0.89092776 0.75000000 1.0 As As26 1 0.66666700 0.33333300 0.75000000 1.0 As As27 1 0.33333300 0.66666700 0.25000000 1.0