# generated using pymatgen data_Zr3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37083822 _cell_length_b 10.84046485 _cell_length_c 10.84046485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3P _chemical_formula_sum 'Zr24 P8' _cell_volume 631.15769620 _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 Zr Zr0 1 0.52877609 0.11305002 0.27738831 1.0 Zr Zr1 1 0.02877609 0.72261169 0.61305002 1.0 Zr Zr2 1 0.02877609 0.77738831 0.88694998 1.0 Zr Zr3 1 0.52877609 0.38694998 0.22261169 1.0 Zr Zr4 1 0.47122391 0.88694998 0.72261169 1.0 Zr Zr5 1 0.97122391 0.27738831 0.38694998 1.0 Zr Zr6 1 0.97122391 0.22261169 0.11305002 1.0 Zr Zr7 1 0.47122391 0.61305002 0.77738831 1.0 Zr Zr8 1 0.23504909 0.07030581 0.53464198 1.0 Zr Zr9 1 0.73504909 0.46535802 0.57030581 1.0 Zr Zr10 1 0.73504909 0.03464198 0.92969419 1.0 Zr Zr11 1 0.23504909 0.42969419 0.96535802 1.0 Zr Zr12 1 0.76495091 0.92969419 0.46535802 1.0 Zr Zr13 1 0.26495091 0.53464198 0.42969419 1.0 Zr Zr14 1 0.26495091 0.96535802 0.07030581 1.0 Zr Zr15 1 0.76495091 0.57030581 0.03464198 1.0 Zr Zr16 1 0.28767093 0.66531743 0.14275895 1.0 Zr Zr17 1 0.78767093 0.85724105 0.16531743 1.0 Zr Zr18 1 0.78767093 0.64275895 0.33468257 1.0 Zr Zr19 1 0.28767093 0.83468257 0.35724105 1.0 Zr Zr20 1 0.71232907 0.33468257 0.85724105 1.0 Zr Zr21 1 0.21232907 0.14275895 0.83468257 1.0 Zr Zr22 1 0.21232907 0.35724105 0.66531743 1.0 Zr Zr23 1 0.71232907 0.16531743 0.64275895 1.0 P P24 1 0.96287282 0.54375498 0.79101893 1.0 P P25 1 0.46287282 0.20898107 0.04375498 1.0 P P26 1 0.46287282 0.29101893 0.45624502 1.0 P P27 1 0.96287282 0.95624502 0.70898107 1.0 P P28 1 0.03712718 0.45624502 0.20898107 1.0 P P29 1 0.53712718 0.79101893 0.95624502 1.0 P P30 1 0.53712718 0.70898107 0.54375498 1.0 P P31 1 0.03712718 0.04375498 0.29101893 1.0