# generated using pymatgen data_NbAlCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73078029 _cell_length_b 4.73078029 _cell_length_c 7.64838900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000412 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlCo4 _chemical_formula_sum 'Nb2 Al2 Co8' _cell_volume 148.24025050 _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 Nb Nb0 1 0.33333300 0.66666700 0.91456900 1.0 Nb Nb1 1 0.66666700 0.33333300 0.08543100 1.0 Al Al2 1 0.66666700 0.33333300 0.44845700 1.0 Al Al3 1 0.33333300 0.66666700 0.55154300 1.0 Co Co4 1 0.00000000 0.00000000 0.50000000 1.0 Co Co5 1 0.00000000 0.00000000 0.00000000 1.0 Co Co6 1 0.66114200 0.83057100 0.25231700 1.0 Co Co7 1 0.16942900 0.83057100 0.25231700 1.0 Co Co8 1 0.16942900 0.33885800 0.25231700 1.0 Co Co9 1 0.33885800 0.16942900 0.74768300 1.0 Co Co10 1 0.83057100 0.16942900 0.74768300 1.0 Co Co11 1 0.83057100 0.66114200 0.74768300 1.0