# generated using pymatgen data_Zr9BW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66274851 _cell_length_b 8.66274851 _cell_length_c 8.66337100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001916 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9BW4 _chemical_formula_sum 'Zr18 B2 W8' _cell_volume 563.02654856 _cell_formula_units_Z 2 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 0.79706500 0.59413100 0.55496700 1.0 Zr Zr1 1 0.79706600 0.20293400 0.55495900 1.0 Zr Zr2 1 0.40586900 0.20293500 0.55496700 1.0 Zr Zr3 1 0.20293500 0.40586900 0.44503300 1.0 Zr Zr4 1 0.20293400 0.79706600 0.44504100 1.0 Zr Zr5 1 0.59413100 0.79706500 0.44503300 1.0 Zr Zr6 1 0.20293500 0.40586900 0.05496700 1.0 Zr Zr7 1 0.20293400 0.79706600 0.05495900 1.0 Zr Zr8 1 0.59413100 0.79706500 0.05496700 1.0 Zr Zr9 1 0.79706500 0.59413100 0.94503300 1.0 Zr Zr10 1 0.79706600 0.20293400 0.94504100 1.0 Zr Zr11 1 0.40586900 0.20293500 0.94503300 1.0 Zr Zr12 1 0.46213300 0.92426400 0.75000000 1.0 Zr Zr13 1 0.46211600 0.53788400 0.75000000 1.0 Zr Zr14 1 0.07573600 0.53786700 0.75000000 1.0 Zr Zr15 1 0.53786700 0.07573600 0.25000000 1.0 Zr Zr16 1 0.53788400 0.46211600 0.25000000 1.0 Zr Zr17 1 0.92426400 0.46213300 0.25000000 1.0 B B18 1 0.66668400 0.33331600 0.75000000 1.0 B B19 1 0.33331600 0.66668400 0.25000000 1.0 W W20 1 0.10938600 0.21877400 0.75000000 1.0 W W21 1 0.10938000 0.89062000 0.75000000 1.0 W W22 1 0.78122600 0.89061400 0.75000000 1.0 W W23 1 0.89061400 0.78122600 0.25000000 1.0 W W24 1 0.89062000 0.10938000 0.25000000 1.0 W W25 1 0.21877400 0.10938600 0.25000000 1.0 W W26 1 0.00000000 0.00000000 0.50000000 1.0 W W27 1 0.00000000 0.00000000 0.00000000 1.0