# generated using pymatgen data_NbAl2Mo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98670983 _cell_length_b 4.99910702 _cell_length_c 4.98670983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl2Mo5 _chemical_formula_sum 'Nb1 Al2 Mo5' _cell_volume 124.31416891 _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 Nb Nb0 1 0.50000000 0.25000000 0.00000000 1.0 Al Al1 1 0.00000000 0.99778746 0.00000000 1.0 Al Al2 1 0.50000000 0.50221254 0.50000000 1.0 Mo Mo3 1 0.24981065 0.99877171 0.50000000 1.0 Mo Mo4 1 0.75018935 0.99877171 0.50000000 1.0 Mo Mo5 1 0.00000000 0.50122829 0.25018935 1.0 Mo Mo6 1 0.00000000 0.50122829 0.74981065 1.0 Mo Mo7 1 0.50000000 0.75000000 0.00000000 1.0