# generated using pymatgen data_Zr8As5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73493100 _cell_length_b 10.21268100 _cell_length_c 28.80093400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8As5 _chemical_formula_sum 'Zr32 As20' _cell_volume 1098.57300135 _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 Zr Zr0 1 0.50000000 0.25794000 0.41798600 1.0 Zr Zr1 1 0.50000000 0.24111500 0.58286300 1.0 Zr Zr2 1 0.50000000 0.74206000 0.91798600 1.0 Zr Zr3 1 0.50000000 0.75888500 0.08286300 1.0 Zr Zr4 1 0.50000000 0.57398400 0.38066400 1.0 Zr Zr5 1 0.50000000 0.92403900 0.61891500 1.0 Zr Zr6 1 0.50000000 0.42601600 0.88066400 1.0 Zr Zr7 1 0.50000000 0.07596100 0.11891500 1.0 Zr Zr8 1 0.50000000 0.25502600 0.23583700 1.0 Zr Zr9 1 0.50000000 0.24484000 0.76535800 1.0 Zr Zr10 1 0.50000000 0.74497400 0.73583700 1.0 Zr Zr11 1 0.50000000 0.75516000 0.26535800 1.0 Zr Zr12 1 0.50000000 0.41138600 0.12646700 1.0 Zr Zr13 1 0.50000000 0.08520500 0.87355200 1.0 Zr Zr14 1 0.50000000 0.58861400 0.62646700 1.0 Zr Zr15 1 0.50000000 0.91479500 0.37355200 1.0 Zr Zr16 1 0.00000000 0.66336000 0.17096200 1.0 Zr Zr17 1 0.00000000 0.83938600 0.82988200 1.0 Zr Zr18 1 0.00000000 0.33664000 0.67096200 1.0 Zr Zr19 1 0.00000000 0.16061400 0.32988200 1.0 Zr Zr20 1 0.00000000 0.25146600 0.50057900 1.0 Zr Zr21 1 0.00000000 0.74853400 0.00057900 1.0 Zr Zr22 1 0.50000000 0.47640400 0.00752500 1.0 Zr Zr23 1 0.50000000 0.02022700 0.99328400 1.0 Zr Zr24 1 0.50000000 0.52359600 0.50752500 1.0 Zr Zr25 1 0.50000000 0.97977300 0.49328400 1.0 Zr Zr26 1 0.00000000 0.50204200 0.28332000 1.0 Zr Zr27 1 0.00000000 0.99653800 0.71655100 1.0 Zr Zr28 1 0.00000000 0.49795800 0.78332000 1.0 Zr Zr29 1 0.00000000 0.00346200 0.21655100 1.0 Zr Zr30 1 0.00000000 0.75418000 0.44376300 1.0 Zr Zr31 1 0.00000000 0.24582000 0.94376300 1.0 As As32 1 0.00000000 0.46400400 0.43976000 1.0 As As33 1 0.00000000 0.03804500 0.56152800 1.0 As As34 1 0.00000000 0.53599600 0.93976000 1.0 As As35 1 0.00000000 0.96195500 0.06152800 1.0 As As36 1 0.00000000 0.55824800 0.07670200 1.0 As As37 1 0.00000000 0.94626700 0.92523000 1.0 As As38 1 0.00000000 0.44175200 0.57670200 1.0 As As39 1 0.00000000 0.05373300 0.42523000 1.0 As As40 1 0.50000000 0.51342900 0.21388900 1.0 As As41 1 0.50000000 0.98566600 0.78541400 1.0 As As42 1 0.50000000 0.48657100 0.71388900 1.0 As As43 1 0.50000000 0.01433400 0.28541400 1.0 As As44 1 0.50000000 0.35377600 0.32857000 1.0 As As45 1 0.50000000 0.14299800 0.67146100 1.0 As As46 1 0.50000000 0.64622400 0.82857000 1.0 As As47 1 0.50000000 0.85700200 0.17146100 1.0 As As48 1 0.00000000 0.23233800 0.16287000 1.0 As As49 1 0.00000000 0.26821800 0.83906900 1.0 As As50 1 0.00000000 0.76766200 0.66287000 1.0 As As51 1 0.00000000 0.73178200 0.33906900 1.0