# generated using pymatgen data_Cd3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.90722592 _cell_length_b 15.90722592 _cell_length_c 15.90722592 _cell_angle_alpha 132.38448283 _cell_angle_beta 132.38448283 _cell_angle_gamma 69.62245174 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3As2 _chemical_formula_sum 'Cd48 As32' _cell_volume 2154.05839105 _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 0.43257800 0.46148600 0.27783900 1.0 Cd Cd1 1 0.93257800 0.65473900 0.97109200 1.0 Cd Cd2 1 0.71148600 0.18257800 0.77783900 1.0 Cd Cd3 1 0.21148600 0.43364700 0.52890800 1.0 Cd Cd4 1 0.31742200 0.78851400 0.22216100 1.0 Cd Cd5 1 0.81742200 0.59526100 0.52890800 1.0 Cd Cd6 1 0.03851400 0.06742200 0.72216100 1.0 Cd Cd7 1 0.53851400 0.81635300 0.97109200 1.0 Cd Cd8 1 0.68364700 0.96148600 0.02890800 1.0 Cd Cd9 1 0.18364700 0.15473900 0.72216100 1.0 Cd Cd10 1 0.90473900 0.68257800 0.47109200 1.0 Cd Cd11 1 0.40473900 0.93364700 0.22216100 1.0 Cd Cd12 1 0.06635300 0.28851400 0.47109200 1.0 Cd Cd13 1 0.56635300 0.09526100 0.77783900 1.0 Cd Cd14 1 0.84526100 0.56742200 0.02890800 1.0 Cd Cd15 1 0.34526100 0.31635300 0.27783900 1.0 Cd Cd16 1 0.69598600 0.42556600 0.50774600 1.0 Cd Cd17 1 0.19598600 0.68824000 0.27041900 1.0 Cd Cd18 1 0.67556600 0.44598600 0.00774600 1.0 Cd Cd19 1 0.17556600 0.16782000 0.22958100 1.0 Cd Cd20 1 0.05401400 0.82443400 0.99225400 1.0 Cd Cd21 1 0.55401400 0.56176000 0.22958100 1.0 Cd Cd22 1 0.07443400 0.80401400 0.49225400 1.0 Cd Cd23 1 0.57443400 0.08217900 0.27041900 1.0 Cd Cd24 1 0.41782100 0.92556600 0.72958100 1.0 Cd Cd25 1 0.91782100 0.18824000 0.49225400 1.0 Cd Cd26 1 0.93824000 0.94598600 0.77041900 1.0 Cd Cd27 1 0.43824000 0.66782000 0.99225400 1.0 Cd Cd28 1 0.33218000 0.32443400 0.77041900 1.0 Cd Cd29 1 0.83218000 0.06176000 0.00774600 1.0 Cd Cd30 1 0.81176000 0.30401400 0.72958100 1.0 Cd Cd31 1 0.31176000 0.58218000 0.50774600 1.0 Cd Cd32 1 0.46458700 0.20726600 0.02337300 1.0 Cd Cd33 1 0.96458700 0.94121300 0.25732100 1.0 Cd Cd34 1 0.45726600 0.21458700 0.52337300 1.0 Cd Cd35 1 0.95726600 0.43389300 0.24267900 1.0 Cd Cd36 1 0.28541300 0.04273400 0.47662700 1.0 Cd Cd37 1 0.78541300 0.30878700 0.24267900 1.0 Cd Cd38 1 0.29273400 0.03541300 0.97662700 1.0 Cd Cd39 1 0.79273400 0.81610700 0.25732100 1.0 Cd Cd40 1 0.68389300 0.70726600 0.74267900 1.0 Cd Cd41 1 0.18389300 0.44121300 0.97662700 1.0 Cd Cd42 1 0.19121300 0.71458700 0.75732100 1.0 Cd Cd43 1 0.69121300 0.93389300 0.47662700 1.0 Cd Cd44 1 0.06610700 0.54273400 0.75732100 1.0 Cd Cd45 1 0.56610700 0.80878700 0.52337300 1.0 Cd Cd46 1 0.55878700 0.53541300 0.74267900 1.0 Cd Cd47 1 0.05878700 0.31610700 0.02337300 1.0 As As48 1 0.00000000 0.00000000 0.00000000 1.0 As As49 1 0.50000000 0.50000000 0.00000000 1.0 As As50 1 0.25000000 0.75000000 0.50000000 1.0 As As51 1 0.75000000 0.25000000 0.50000000 1.0 As As52 1 0.25000000 0.25000000 0.00000000 1.0 As As53 1 0.75000000 0.75000000 0.00000000 1.0 As As54 1 0.50000000 0.00000000 0.50000000 1.0 As As55 1 0.00000000 0.50000000 0.50000000 1.0 As As56 1 0.37500000 0.12500000 0.75000000 1.0 As As57 1 0.87500000 0.12500000 0.25000000 1.0 As As58 1 0.37500000 0.12500000 0.25000000 1.0 As As59 1 0.87500000 0.62500000 0.25000000 1.0 As As60 1 0.87500000 0.62500000 0.75000000 1.0 As As61 1 0.37500000 0.62500000 0.25000000 1.0 As As62 1 0.37500000 0.62500000 0.75000000 1.0 As As63 1 0.87500000 0.12500000 0.75000000 1.0 As As64 1 0.09568600 0.87500000 0.72068600 1.0 As As65 1 0.59568600 0.87500000 0.22068600 1.0 As As66 1 0.12500000 0.84568600 0.22068600 1.0 As As67 1 0.62500000 0.40431400 0.27931400 1.0 As As68 1 0.65431400 0.37500000 0.77931400 1.0 As As69 1 0.15431400 0.37500000 0.27931400 1.0 As As70 1 0.12500000 0.34568600 0.72068600 1.0 As As71 1 0.62500000 0.90431400 0.77931400 1.0 As As72 1 0.51351500 0.51351500 0.52702900 1.0 As As73 1 0.01351500 0.48648500 0.00000000 1.0 As As74 1 0.76351500 0.26351500 0.02702900 1.0 As As75 1 0.26351500 0.23648500 0.50000000 1.0 As As76 1 0.23648500 0.73648500 0.97297100 1.0 As As77 1 0.73648500 0.76351500 0.50000000 1.0 As As78 1 0.98648500 0.98648500 0.47297100 1.0 As As79 1 0.48648500 0.01351500 0.00000000 1.0