# generated using pymatgen data_Zr18BeNi3P8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.03816068 _cell_length_b 12.03816068 _cell_length_c 3.67957818 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.22605519 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr18BeNi3P8 _chemical_formula_sum 'Zr18 Be1 Ni3 P8' _cell_volume 533.23043108 _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 0.00247689 0.00227722 0.00000000 1.0 Zr Zr1 1 0.49772278 0.49752311 0.00000000 1.0 Zr Zr2 1 0.10564480 0.18496242 0.50000000 1.0 Zr Zr3 1 0.18053219 0.89579778 0.50000000 1.0 Zr Zr4 1 0.81986016 0.10413771 0.50000000 1.0 Zr Zr5 1 0.89595290 0.81964752 0.50000000 1.0 Zr Zr6 1 0.39586229 0.68013984 0.50000000 1.0 Zr Zr7 1 0.60420222 0.31946781 0.50000000 1.0 Zr Zr8 1 0.68035248 0.60404710 0.50000000 1.0 Zr Zr9 1 0.31503758 0.39435520 0.50000000 1.0 Zr Zr10 1 0.09710056 0.40289944 0.00000000 1.0 Zr Zr11 1 0.40330268 0.90221620 0.00000000 1.0 Zr Zr12 1 0.59778380 0.09669732 0.00000000 1.0 Zr Zr13 1 0.90268153 0.59731847 0.00000000 1.0 Zr Zr14 1 0.38108543 0.11891457 0.50000000 1.0 Zr Zr15 1 0.11881635 0.61926593 0.50000000 1.0 Zr Zr16 1 0.88073407 0.38118365 0.50000000 1.0 Zr Zr17 1 0.61904519 0.88095481 0.50000000 1.0 Be Be18 1 0.25995033 0.24004967 0.00000000 1.0 Ni Ni19 1 0.24561306 0.74621595 0.00000000 1.0 Ni Ni20 1 0.75378405 0.25438694 0.00000000 1.0 Ni Ni21 1 0.74552222 0.75447778 0.00000000 1.0 P P22 1 0.22530268 0.05916901 0.00000000 1.0 P P23 1 0.05592812 0.77590382 0.00000000 1.0 P P24 1 0.94483208 0.22577780 0.00000000 1.0 P P25 1 0.77606532 0.94433912 0.00000000 1.0 P P26 1 0.27422220 0.55516792 0.00000000 1.0 P P27 1 0.72409618 0.44407188 0.00000000 1.0 P P28 1 0.55566088 0.72393468 0.00000000 1.0 P P29 1 0.44083099 0.27469732 0.00000000 1.0