# generated using pymatgen data_Cd3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.87732687 _cell_length_b 15.87732687 _cell_length_c 15.87732687 _cell_angle_alpha 132.03175444 _cell_angle_beta 132.03175444 _cell_angle_gamma 70.17887882 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3As2 _chemical_formula_sum 'Cd48 As32' _cell_volume 2164.54675056 _cell_formula_units_Z 16 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 Cd Cd0 1 0.46212700 0.44179900 0.25890500 1.0 Cd Cd1 1 0.96212700 0.70322200 0.02032800 1.0 Cd Cd2 1 0.69179900 0.21212700 0.75890500 1.0 Cd Cd3 1 0.19179900 0.43289400 0.47967200 1.0 Cd Cd4 1 0.28787300 0.80820100 0.24109500 1.0 Cd Cd5 1 0.78787300 0.54677800 0.47967200 1.0 Cd Cd6 1 0.05820100 0.03787300 0.74109500 1.0 Cd Cd7 1 0.55820100 0.81710600 0.02032800 1.0 Cd Cd8 1 0.68289400 0.94179900 0.97967200 1.0 Cd Cd9 1 0.18289400 0.20322200 0.74109500 1.0 Cd Cd10 1 0.95322200 0.71212700 0.52032800 1.0 Cd Cd11 1 0.45322200 0.93289400 0.24109500 1.0 Cd Cd12 1 0.06710600 0.30820100 0.52032800 1.0 Cd Cd13 1 0.56710600 0.04677800 0.75890500 1.0 Cd Cd14 1 0.79677800 0.53787300 0.97967200 1.0 Cd Cd15 1 0.29677800 0.31710600 0.25890500 1.0 Cd Cd16 1 0.41411900 0.69480900 0.50404400 1.0 Cd Cd17 1 0.91411900 0.41007500 0.71931000 1.0 Cd Cd18 1 0.94480900 0.16411900 0.00404400 1.0 Cd Cd19 1 0.44480900 0.44076500 0.78069000 1.0 Cd Cd20 1 0.33588100 0.55519100 0.99595600 1.0 Cd Cd21 1 0.83588100 0.83992500 0.78069000 1.0 Cd Cd22 1 0.80519100 0.08588100 0.49595600 1.0 Cd Cd23 1 0.30519100 0.80923500 0.71931000 1.0 Cd Cd24 1 0.69076500 0.19480900 0.28069000 1.0 Cd Cd25 1 0.19076500 0.91007500 0.49595600 1.0 Cd Cd26 1 0.66007500 0.66411900 0.21931000 1.0 Cd Cd27 1 0.16007500 0.94076500 0.99595600 1.0 Cd Cd28 1 0.05923500 0.05519100 0.21931000 1.0 Cd Cd29 1 0.55923500 0.33992500 0.00404400 1.0 Cd Cd30 1 0.08992500 0.58588100 0.28069000 1.0 Cd Cd31 1 0.58992500 0.30923500 0.50404400 1.0 Cd Cd32 1 0.43123900 0.16815700 0.97442100 1.0 Cd Cd33 1 0.93123900 0.95681900 0.26308300 1.0 Cd Cd34 1 0.41815700 0.18123900 0.47442100 1.0 Cd Cd35 1 0.91815700 0.44373600 0.23691700 1.0 Cd Cd36 1 0.31876100 0.08184300 0.52557900 1.0 Cd Cd37 1 0.81876100 0.29318100 0.23691700 1.0 Cd Cd38 1 0.33184300 0.06876100 0.02557900 1.0 Cd Cd39 1 0.83184300 0.80626400 0.26308300 1.0 Cd Cd40 1 0.69373600 0.66815700 0.73691700 1.0 Cd Cd41 1 0.19373600 0.45681900 0.02557900 1.0 Cd Cd42 1 0.20681900 0.68123900 0.76308300 1.0 Cd Cd43 1 0.70681900 0.94373600 0.52557900 1.0 Cd Cd44 1 0.05626400 0.58184300 0.76308300 1.0 Cd Cd45 1 0.55626400 0.79318100 0.47442100 1.0 Cd Cd46 1 0.54318100 0.56876100 0.73691700 1.0 Cd Cd47 1 0.04318100 0.30626400 0.97442100 1.0 As As48 1 0.49752500 0.25956900 0.25333900 1.0 As As49 1 0.99752500 0.74418600 0.23795700 1.0 As As50 1 0.50956900 0.24752500 0.75333900 1.0 As As51 1 0.00956900 0.25622900 0.26204300 1.0 As As52 1 0.25247500 0.99043100 0.24666100 1.0 As As53 1 0.75247500 0.50581400 0.26204300 1.0 As As54 1 0.24043100 0.00247500 0.74666100 1.0 As As55 1 0.74043100 0.99377100 0.23795700 1.0 As As56 1 0.50622900 0.75956900 0.76204300 1.0 As As57 1 0.00622900 0.24418600 0.74666100 1.0 As As58 1 0.99418600 0.74752500 0.73795700 1.0 As As59 1 0.49418600 0.75622900 0.24666100 1.0 As As60 1 0.24377100 0.49043100 0.73795700 1.0 As As61 1 0.74377100 0.00581400 0.75333900 1.0 As As62 1 0.75581400 0.50247500 0.76204300 1.0 As As63 1 0.25581400 0.49377100 0.25333900 1.0 As As64 1 0.37549300 0.37549300 0.00000000 1.0 As As65 1 0.87549300 0.87549300 0.00000000 1.0 As As66 1 0.62549300 0.12549300 0.50000000 1.0 As As67 1 0.12549300 0.62549300 0.50000000 1.0 As As68 1 0.37450700 0.87450700 0.50000000 1.0 As As69 1 0.87450700 0.37450700 0.50000000 1.0 As As70 1 0.12450700 0.12450700 0.00000000 1.0 As As71 1 0.62450700 0.62450700 0.00000000 1.0 As As72 1 0.62500000 0.63579200 0.51079200 1.0 As As73 1 0.12500000 0.61420800 0.98920800 1.0 As As74 1 0.88579200 0.37500000 0.01079200 1.0 As As75 1 0.38579200 0.37500000 0.51079200 1.0 As As76 1 0.86420800 0.87500000 0.48920800 1.0 As As77 1 0.36420800 0.87500000 0.98920800 1.0 As As78 1 0.62500000 0.13579200 0.01079200 1.0 As As79 1 0.12500000 0.11420800 0.48920800 1.0