# generated using pymatgen data_Al3Ni12Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54174853 _cell_length_b 3.54174853 _cell_length_c 14.13903597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3Ni12Mo _chemical_formula_sum 'Al3 Ni12 Mo1' _cell_volume 177.35982222 _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 Al Al0 1 0.00000000 0.00000000 0.25594337 1.0 Al Al1 1 0.00000000 0.00000000 0.50000000 1.0 Al Al2 1 0.00000000 0.00000000 0.74405663 1.0 Ni Ni3 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni4 1 0.50000000 0.50000000 0.25061008 1.0 Ni Ni5 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.50000000 0.50000000 0.74938992 1.0 Ni Ni7 1 0.50000000 0.00000000 0.12574405 1.0 Ni Ni8 1 0.50000000 0.00000000 0.37674903 1.0 Ni Ni9 1 0.50000000 0.00000000 0.62325097 1.0 Ni Ni10 1 0.50000000 0.00000000 0.87425595 1.0 Ni Ni11 1 0.00000000 0.50000000 0.12574405 1.0 Ni Ni12 1 0.00000000 0.50000000 0.37674903 1.0 Ni Ni13 1 0.00000000 0.50000000 0.62325097 1.0 Ni Ni14 1 0.00000000 0.50000000 0.87425595 1.0 Mo Mo15 1 0.00000000 0.00000000 0.00000000 1.0