# generated using pymatgen data_Hf18Nb3Re5As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66268990 _cell_length_b 8.66269019 _cell_length_c 8.68125019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000268 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Nb3Re5As2 _chemical_formula_sum 'Hf18 Nb3 Re5 As2' _cell_volume 564.18098398 _cell_formula_units_Z 1 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 0.19539356 0.80460644 0.45993582 1.0 Hf Hf1 1 0.19539356 0.39078712 0.45993582 1.0 Hf Hf2 1 0.60921288 0.80460644 0.45993582 1.0 Hf Hf3 1 0.80722910 0.19277090 0.55396696 1.0 Hf Hf4 1 0.80722910 0.61445919 0.55396696 1.0 Hf Hf5 1 0.38554081 0.19277090 0.55396696 1.0 Hf Hf6 1 0.80722910 0.19277090 0.94603304 1.0 Hf Hf7 1 0.80722910 0.61445919 0.94603304 1.0 Hf Hf8 1 0.38554081 0.19277090 0.94603304 1.0 Hf Hf9 1 0.19539356 0.80460644 0.04006418 1.0 Hf Hf10 1 0.19539356 0.39078712 0.04006418 1.0 Hf Hf11 1 0.60921288 0.80460644 0.04006418 1.0 Hf Hf12 1 0.53784892 0.46215108 0.25000000 1.0 Hf Hf13 1 0.53784892 0.07569585 0.25000000 1.0 Hf Hf14 1 0.92430415 0.46215108 0.25000000 1.0 Hf Hf15 1 0.45656622 0.54343378 0.75000000 1.0 Hf Hf16 1 0.45656622 0.91313244 0.75000000 1.0 Hf Hf17 1 0.08686756 0.54343378 0.75000000 1.0 Nb Nb18 1 0.88923087 0.11076913 0.25000000 1.0 Nb Nb19 1 0.88923087 0.77846375 0.25000000 1.0 Nb Nb20 1 0.22153625 0.11076913 0.25000000 1.0 Re Re21 1 0.10984760 0.89015240 0.75000000 1.0 Re Re22 1 0.10984760 0.21969320 0.75000000 1.0 Re Re23 1 0.78030680 0.89015240 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50217474 1.0 Re Re25 1 0.00000000 0.00000000 0.99782526 1.0 As As26 1 0.33333300 0.66666700 0.25000000 1.0 As As27 1 0.66666700 0.33333300 0.75000000 1.0