# generated using pymatgen data_Zr9BW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.25141558 _cell_length_b 12.25141558 _cell_length_c 15.00431800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999772 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9BW4 _chemical_formula_sum 'Zr54 B6 W24' _cell_volume 1950.38094402 _cell_formula_units_Z 6 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 0.72123100 0.03664500 0.48167800 1.0 Zr Zr1 1 0.38789800 0.36997800 0.81501100 1.0 Zr Zr2 1 0.05456400 0.70331200 0.14834400 1.0 Zr Zr3 1 0.85165600 0.90622000 0.35125300 1.0 Zr Zr4 1 0.51832200 0.23955400 0.68458600 1.0 Zr Zr5 1 0.18498900 0.57288700 0.01792000 1.0 Zr Zr6 1 0.98208000 0.16707000 0.61210200 1.0 Zr Zr7 1 0.64874700 0.50040300 0.94543600 1.0 Zr Zr8 1 0.31541400 0.83373600 0.27876900 1.0 Zr Zr9 1 0.27876900 0.96335500 0.51832200 1.0 Zr Zr10 1 0.94543600 0.29668800 0.85165600 1.0 Zr Zr11 1 0.61210200 0.63002200 0.18498900 1.0 Zr Zr12 1 0.14834400 0.09378000 0.64874700 1.0 Zr Zr13 1 0.81501100 0.42711300 0.98208000 1.0 Zr Zr14 1 0.48167800 0.76044600 0.31541400 1.0 Zr Zr15 1 0.01792000 0.83293000 0.38789800 1.0 Zr Zr16 1 0.68458600 0.16626400 0.72123100 1.0 Zr Zr17 1 0.35125300 0.49959700 0.05456400 1.0 Zr Zr18 1 0.14874700 0.70331200 0.64834400 1.0 Zr Zr19 1 0.81541400 0.03664500 0.98167800 1.0 Zr Zr20 1 0.48208000 0.36997800 0.31501100 1.0 Zr Zr21 1 0.01832200 0.83373600 0.77876900 1.0 Zr Zr22 1 0.68498900 0.16707000 0.11210200 1.0 Zr Zr23 1 0.35165600 0.50040300 0.44543600 1.0 Zr Zr24 1 0.88789800 0.57288700 0.51792000 1.0 Zr Zr25 1 0.55456400 0.90622000 0.85125300 1.0 Zr Zr26 1 0.22123100 0.23955400 0.18458600 1.0 Zr Zr27 1 0.85125300 0.29668800 0.35165600 1.0 Zr Zr28 1 0.51792000 0.63002200 0.68498900 1.0 Zr Zr29 1 0.18458600 0.96335500 0.01832200 1.0 Zr Zr30 1 0.98167800 0.16626400 0.22123100 1.0 Zr Zr31 1 0.64834400 0.49959700 0.55456400 1.0 Zr Zr32 1 0.31501100 0.83293000 0.88789800 1.0 Zr Zr33 1 0.11210200 0.42711300 0.48208000 1.0 Zr Zr34 1 0.77876900 0.76044600 0.81541400 1.0 Zr Zr35 1 0.44543600 0.09378000 0.14874700 1.0 Zr Zr36 1 0.12117600 0.16666700 0.41666700 1.0 Zr Zr37 1 0.78784200 0.50000000 0.75000000 1.0 Zr Zr38 1 0.45450900 0.83333300 0.08333300 1.0 Zr Zr39 1 0.25000000 0.03784200 0.28784200 1.0 Zr Zr40 1 0.91666700 0.37117600 0.62117600 1.0 Zr Zr41 1 0.58333300 0.70450900 0.95450900 1.0 Zr Zr42 1 0.37882400 0.29549100 0.54549100 1.0 Zr Zr43 1 0.04549100 0.62882400 0.87882400 1.0 Zr Zr44 1 0.71215800 0.96215800 0.21215800 1.0 Zr Zr45 1 0.87882400 0.83333300 0.58333300 1.0 Zr Zr46 1 0.54549100 0.16666700 0.91666700 1.0 Zr Zr47 1 0.21215800 0.50000000 0.25000000 1.0 Zr Zr48 1 0.75000000 0.96215800 0.71215800 1.0 Zr Zr49 1 0.41666700 0.29549100 0.04549100 1.0 Zr Zr50 1 0.08333300 0.62882400 0.37882400 1.0 Zr Zr51 1 0.62117600 0.70450900 0.45450900 1.0 Zr Zr52 1 0.28784200 0.03784200 0.78784200 1.0 Zr Zr53 1 0.95450900 0.37117600 0.12117600 1.0 B B54 1 0.91666700 0.16666700 0.41666700 1.0 B B55 1 0.58333300 0.50000000 0.75000000 1.0 B B56 1 0.25000000 0.83333300 0.08333300 1.0 B B57 1 0.08333300 0.83333300 0.58333300 1.0 B B58 1 0.75000000 0.16666700 0.91666700 1.0 B B59 1 0.41666700 0.50000000 0.25000000 1.0 W W60 1 0.47392000 0.16666700 0.41666700 1.0 W W61 1 0.14058700 0.50000000 0.75000000 1.0 W W62 1 0.80725400 0.83333300 0.08333300 1.0 W W63 1 0.25000000 0.39058700 0.64058700 1.0 W W64 1 0.91666700 0.72392000 0.97392000 1.0 W W65 1 0.58333300 0.05725400 0.30725400 1.0 W W66 1 0.02608000 0.94274600 0.19274600 1.0 W W67 1 0.69274600 0.27608000 0.52608000 1.0 W W68 1 0.35941300 0.60941300 0.85941300 1.0 W W69 1 0.52608000 0.83333300 0.58333300 1.0 W W70 1 0.19274600 0.16666700 0.91666700 1.0 W W71 1 0.85941300 0.50000000 0.25000000 1.0 W W72 1 0.75000000 0.60941300 0.35941300 1.0 W W73 1 0.41666700 0.94274600 0.69274600 1.0 W W74 1 0.08333300 0.27608000 0.02608000 1.0 W W75 1 0.97392000 0.05725400 0.80725400 1.0 W W76 1 0.64058700 0.39058700 0.14058700 1.0 W W77 1 0.30725400 0.72392000 0.47392000 1.0 W W78 1 0.83333300 0.66666700 0.16666700 1.0 W W79 1 0.50000000 0.00000000 0.50000000 1.0 W W80 1 0.16666700 0.33333300 0.83333300 1.0 W W81 1 0.00000000 0.00000000 0.00000000 1.0 W W82 1 0.66666700 0.33333300 0.33333300 1.0 W W83 1 0.33333300 0.66666700 0.66666700 1.0