# generated using pymatgen data_Zr9NiMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83774776 _cell_length_b 8.83774776 _cell_length_c 8.39777100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999818 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9NiMo4 _chemical_formula_sum 'Zr18 Ni2 Mo8' _cell_volume 568.03862989 _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 0.19905600 0.80094400 0.44431600 1.0 Zr Zr1 1 0.19905600 0.39811200 0.44431600 1.0 Zr Zr2 1 0.60188800 0.80094400 0.44431600 1.0 Zr Zr3 1 0.80094400 0.19905600 0.55568400 1.0 Zr Zr4 1 0.80094400 0.60188800 0.55568400 1.0 Zr Zr5 1 0.39811200 0.19905600 0.55568400 1.0 Zr Zr6 1 0.80094400 0.19905600 0.94431600 1.0 Zr Zr7 1 0.80094400 0.60188800 0.94431600 1.0 Zr Zr8 1 0.39811200 0.19905600 0.94431600 1.0 Zr Zr9 1 0.19905600 0.80094400 0.05568400 1.0 Zr Zr10 1 0.19905600 0.39811200 0.05568400 1.0 Zr Zr11 1 0.60188800 0.80094400 0.05568400 1.0 Zr Zr12 1 0.54108700 0.45891300 0.25000000 1.0 Zr Zr13 1 0.54108700 0.08217500 0.25000000 1.0 Zr Zr14 1 0.91782500 0.45891300 0.25000000 1.0 Zr Zr15 1 0.45891300 0.54108700 0.75000000 1.0 Zr Zr16 1 0.45891300 0.91782500 0.75000000 1.0 Zr Zr17 1 0.08217500 0.54108700 0.75000000 1.0 Ni Ni18 1 0.33333300 0.66666700 0.25000000 1.0 Ni Ni19 1 0.66666700 0.33333300 0.75000000 1.0 Mo Mo20 1 0.89004100 0.10995900 0.25000000 1.0 Mo Mo21 1 0.89004100 0.78008100 0.25000000 1.0 Mo Mo22 1 0.21991900 0.10995900 0.25000000 1.0 Mo Mo23 1 0.10995900 0.89004100 0.75000000 1.0 Mo Mo24 1 0.10995900 0.21991900 0.75000000 1.0 Mo Mo25 1 0.78008100 0.89004100 0.75000000 1.0 Mo Mo26 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo27 1 0.00000000 0.00000000 0.00000000 1.0