# generated using pymatgen data_Zr6Co20As13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78450802 _cell_length_b 12.78450895 _cell_length_c 3.69200834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000011 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Co20As13 _chemical_formula_sum 'Zr6 Co20 As13' _cell_volume 522.59033803 _cell_formula_units_Z 1 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 0.80642984 0.28416808 0.50000000 1.0 Zr Zr1 1 0.71583192 0.52226176 0.50000000 1.0 Zr Zr2 1 0.47773824 0.19357016 0.50000000 1.0 Zr Zr3 1 0.19394003 0.71777393 0.00000000 1.0 Zr Zr4 1 0.28222607 0.47616710 0.00000000 1.0 Zr Zr5 1 0.52383290 0.80605997 0.00000000 1.0 Co Co6 1 0.41867154 0.98144702 0.00000000 1.0 Co Co7 1 0.01855298 0.43722452 0.00000000 1.0 Co Co8 1 0.58126692 0.01837245 0.50000000 1.0 Co Co9 1 0.56277548 0.58132846 0.00000000 1.0 Co Co10 1 0.98162755 0.56289447 0.50000000 1.0 Co Co11 1 0.92283771 0.08509994 0.50000000 1.0 Co Co12 1 0.16226324 0.07716229 0.50000000 1.0 Co Co13 1 0.91490006 0.83773676 0.50000000 1.0 Co Co14 1 0.09618122 0.89500985 0.00000000 1.0 Co Co15 1 0.79882763 0.90381878 0.00000000 1.0 Co Co16 1 0.10499015 0.20117237 0.00000000 1.0 Co Co17 1 0.33333300 0.66666700 0.50000000 1.0 Co Co18 1 0.66666700 0.33333300 0.00000000 1.0 Co Co19 1 0.67759074 0.74655572 0.50000000 1.0 Co Co20 1 0.25344428 0.93103502 0.50000000 1.0 Co Co21 1 0.92509090 0.67672462 0.00000000 1.0 Co Co22 1 0.32327538 0.24836628 0.00000000 1.0 Co Co23 1 0.75163372 0.07490910 0.00000000 1.0 Co Co24 1 0.43710553 0.41873308 0.50000000 1.0 Co Co25 1 0.06896498 0.32240926 0.50000000 1.0 As As26 1 0.00000000 0.00000000 0.00000000 1.0 As As27 1 0.23214307 0.28741853 0.50000000 1.0 As As28 1 0.71258147 0.94472454 0.50000000 1.0 As As29 1 0.05527546 0.76785693 0.50000000 1.0 As As30 1 0.76808694 0.71142544 0.00000000 1.0 As As31 1 0.28857456 0.05666150 0.00000000 1.0 As As32 1 0.47351752 0.61413653 0.50000000 1.0 As As33 1 0.38586347 0.85938099 0.50000000 1.0 As As34 1 0.85950144 0.47440301 0.00000000 1.0 As As35 1 0.52559699 0.38509943 0.00000000 1.0 As As36 1 0.61490057 0.14049856 0.00000000 1.0 As As37 1 0.94333850 0.23191306 0.00000000 1.0 As As38 1 0.14061901 0.52648248 0.50000000 1.0