# generated using pymatgen data_Hf3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66030672 _cell_length_b 10.04607182 _cell_length_c 10.49073986 _cell_angle_alpha 89.99708172 _cell_angle_beta 89.99999931 _cell_angle_gamma 89.99999805 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3As2 _chemical_formula_sum 'Hf12 As8' _cell_volume 385.76238264 _cell_formula_units_Z 4 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 0.25000006 0.62548445 0.54373196 1.0 Hf Hf1 1 0.25000004 0.87453499 0.04371010 1.0 Hf Hf2 1 0.74999994 0.37456555 0.45631717 1.0 Hf Hf3 1 0.74999997 0.12544047 0.95623492 1.0 Hf Hf4 1 0.74999994 0.06931649 0.62733745 1.0 Hf Hf5 1 0.74999993 0.43063510 0.12741104 1.0 Hf Hf6 1 0.24999997 0.93065027 0.37267837 1.0 Hf Hf7 1 0.25000014 0.56939396 0.87256613 1.0 Hf Hf8 1 0.24999986 0.29620455 0.71284139 1.0 Hf Hf9 1 0.24999991 0.20376711 0.21293702 1.0 Hf Hf10 1 0.75000009 0.70382295 0.28717224 1.0 Hf Hf11 1 0.75000015 0.79620317 0.78704595 1.0 As As12 1 0.24999989 0.17643728 0.46821353 1.0 As As13 1 0.24999993 0.32356518 0.96817406 1.0 As As14 1 0.75000000 0.82356029 0.53180715 1.0 As As15 1 0.75000015 0.67645334 0.03180528 1.0 As As16 1 0.75000008 0.50131692 0.69390417 1.0 As As17 1 0.74999995 0.99865822 0.19394326 1.0 As As18 1 0.24999996 0.49870573 0.30612383 1.0 As As19 1 0.25000004 0.00128097 0.80604298 1.0