# generated using pymatgen data_Cd3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05899625 _cell_length_b 9.05899625 _cell_length_c 12.73161565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3As2 _chemical_formula_sum 'Cd24 As16' _cell_volume 1044.82529721 _cell_formula_units_Z 8 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 0.25000000 0.99295897 0.39700272 1.0 Cd Cd1 1 0.50704103 0.25000000 0.89700272 1.0 Cd Cd2 1 0.99295897 0.25000000 0.89700272 1.0 Cd Cd3 1 0.75000000 0.00704103 0.60299728 1.0 Cd Cd4 1 0.75000000 0.49295897 0.60299728 1.0 Cd Cd5 1 0.25000000 0.50704103 0.39700272 1.0 Cd Cd6 1 0.49295897 0.75000000 0.10299728 1.0 Cd Cd7 1 0.00704103 0.75000000 0.10299728 1.0 Cd Cd8 1 0.96423666 0.75000000 0.36900538 1.0 Cd Cd9 1 0.53576334 0.75000000 0.36900538 1.0 Cd Cd10 1 0.25000000 0.46423666 0.13099462 1.0 Cd Cd11 1 0.75000000 0.53576334 0.86900538 1.0 Cd Cd12 1 0.75000000 0.96423666 0.86900538 1.0 Cd Cd13 1 0.03576334 0.25000000 0.63099462 1.0 Cd Cd14 1 0.46423666 0.25000000 0.63099462 1.0 Cd Cd15 1 0.25000000 0.03576334 0.13099462 1.0 Cd Cd16 1 0.03181527 0.75000000 0.64711173 1.0 Cd Cd17 1 0.46818473 0.75000000 0.64711173 1.0 Cd Cd18 1 0.25000000 0.53181527 0.85288827 1.0 Cd Cd19 1 0.75000000 0.46818473 0.14711173 1.0 Cd Cd20 1 0.75000000 0.03181527 0.14711173 1.0 Cd Cd21 1 0.96818473 0.25000000 0.35288827 1.0 Cd Cd22 1 0.53181527 0.25000000 0.35288827 1.0 Cd Cd23 1 0.25000000 0.96818473 0.85288827 1.0 As As24 1 0.00666498 0.50666498 0.25000000 1.0 As As25 1 0.99333502 0.00666498 0.75000000 1.0 As As26 1 0.50666498 0.49333502 0.75000000 1.0 As As27 1 0.49333502 0.99333502 0.25000000 1.0 As As28 1 0.99333502 0.49333502 0.75000000 1.0 As As29 1 0.00666498 0.99333502 0.25000000 1.0 As As30 1 0.49333502 0.50666498 0.25000000 1.0 As As31 1 0.50666498 0.00666498 0.75000000 1.0 As As32 1 0.75000000 0.75000000 0.50974809 1.0 As As33 1 0.75000000 0.75000000 0.00974809 1.0 As As34 1 0.25000000 0.25000000 0.49025191 1.0 As As35 1 0.25000000 0.25000000 0.99025191 1.0 As As36 1 0.25000000 0.75000000 0.50703179 1.0 As As37 1 0.75000000 0.25000000 0.00703179 1.0 As As38 1 0.75000000 0.25000000 0.49296821 1.0 As As39 1 0.25000000 0.75000000 0.99296821 1.0