# generated using pymatgen data_Zr4NiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81493738 _cell_length_b 8.81493738 _cell_length_c 8.81493738 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4NiMo _chemical_formula_sum 'Zr16 Ni4 Mo4' _cell_volume 484.33147944 _cell_formula_units_Z 4 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 0.19121700 0.60292800 0.60292800 1.0 Zr Zr1 1 0.60292800 0.19121700 0.60292800 1.0 Zr Zr2 1 0.60292800 0.60292800 0.60292800 1.0 Zr Zr3 1 0.60292800 0.60292800 0.19121700 1.0 Zr Zr4 1 0.45149000 0.45149000 0.04851000 1.0 Zr Zr5 1 0.04851000 0.04851000 0.45149000 1.0 Zr Zr6 1 0.45149000 0.04851000 0.04851000 1.0 Zr Zr7 1 0.04851000 0.45149000 0.45149000 1.0 Zr Zr8 1 0.04851000 0.45149000 0.04851000 1.0 Zr Zr9 1 0.45149000 0.04851000 0.45149000 1.0 Zr Zr10 1 0.81532600 0.81532600 0.18467400 1.0 Zr Zr11 1 0.18467400 0.18467400 0.81532600 1.0 Zr Zr12 1 0.81532600 0.18467400 0.18467400 1.0 Zr Zr13 1 0.18467400 0.81532600 0.81532600 1.0 Zr Zr14 1 0.18467400 0.81532600 0.18467400 1.0 Zr Zr15 1 0.81532600 0.18467400 0.81532600 1.0 Ni Ni16 1 0.82426200 0.39191300 0.39191300 1.0 Ni Ni17 1 0.39191300 0.82426200 0.39191300 1.0 Ni Ni18 1 0.39191300 0.39191300 0.39191300 1.0 Ni Ni19 1 0.39191300 0.39191300 0.82426200 1.0 Mo Mo20 1 0.50241300 0.83252900 0.83252900 1.0 Mo Mo21 1 0.83252900 0.50241300 0.83252900 1.0 Mo Mo22 1 0.83252900 0.83252900 0.83252900 1.0 Mo Mo23 1 0.83252900 0.83252900 0.50241300 1.0