# generated using pymatgen data_Nb3AlCr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87326587 _cell_length_b 4.87326587 _cell_length_c 8.00431900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999817 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3AlCr8 _chemical_formula_sum 'Nb3 Al1 Cr8' _cell_volume 164.62479185 _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 0.66666700 0.33333300 0.44292800 1.0 Nb Nb1 1 0.66666700 0.33333300 0.06040000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.93611400 1.0 Al Al3 1 0.00000000 0.00000000 0.56345700 1.0 Cr Cr4 1 0.33333300 0.66666700 0.49914200 1.0 Cr Cr5 1 0.33333300 0.66666700 0.99887100 1.0 Cr Cr6 1 0.50208300 0.00416500 0.74791500 1.0 Cr Cr7 1 0.50208300 0.49791700 0.74791500 1.0 Cr Cr8 1 0.99583500 0.49791700 0.74791500 1.0 Cr Cr9 1 0.16286000 0.32572000 0.25178000 1.0 Cr Cr10 1 0.16286000 0.83714000 0.25178000 1.0 Cr Cr11 1 0.67428000 0.83714000 0.25178000 1.0