# generated using pymatgen data_Zr9(BeP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.96585855 _cell_length_b 11.96585855 _cell_length_c 3.66228358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9(BeP2)2 _chemical_formula_sum 'Zr18 Be4 P8' _cell_volume 524.37224832 _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 0.00000000 0.00000000 0.00000000 1.0 Zr Zr1 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr2 1 0.10573064 0.18278369 0.50000000 1.0 Zr Zr3 1 0.18278369 0.89426936 0.50000000 1.0 Zr Zr4 1 0.81721631 0.10573064 0.50000000 1.0 Zr Zr5 1 0.89426936 0.81721631 0.50000000 1.0 Zr Zr6 1 0.39426936 0.68278369 0.50000000 1.0 Zr Zr7 1 0.60573064 0.31721631 0.50000000 1.0 Zr Zr8 1 0.68278369 0.60573064 0.50000000 1.0 Zr Zr9 1 0.31721631 0.39426936 0.50000000 1.0 Zr Zr10 1 0.09912692 0.40087308 0.00000000 1.0 Zr Zr11 1 0.40087308 0.90087308 0.00000000 1.0 Zr Zr12 1 0.59912692 0.09912692 0.00000000 1.0 Zr Zr13 1 0.90087308 0.59912692 0.00000000 1.0 Zr Zr14 1 0.38243428 0.11756572 0.50000000 1.0 Zr Zr15 1 0.11756572 0.61756572 0.50000000 1.0 Zr Zr16 1 0.88243428 0.38243428 0.50000000 1.0 Zr Zr17 1 0.61756572 0.88243428 0.50000000 1.0 Be Be18 1 0.25995849 0.24004151 0.00000000 1.0 Be Be19 1 0.24004151 0.74004151 0.00000000 1.0 Be Be20 1 0.75995849 0.25995849 0.00000000 1.0 Be Be21 1 0.74004151 0.75995849 0.00000000 1.0 P P22 1 0.22559254 0.05724158 0.00000000 1.0 P P23 1 0.05724158 0.77440746 0.00000000 1.0 P P24 1 0.94275842 0.22559254 0.00000000 1.0 P P25 1 0.77440746 0.94275842 0.00000000 1.0 P P26 1 0.27440746 0.55724158 0.00000000 1.0 P P27 1 0.72559254 0.44275842 0.00000000 1.0 P P28 1 0.55724158 0.72559254 0.00000000 1.0 P P29 1 0.44275842 0.27440746 0.00000000 1.0