# generated using pymatgen data_Zr4Nb4AlAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63313523 _cell_length_b 7.12162160 _cell_length_c 8.63483450 _cell_angle_alpha 89.72019011 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb4AlAs3 _chemical_formula_sum 'Zr4 Nb4 Al1 As3' _cell_volume 223.41344021 _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 Zr Zr0 1 0.25000000 0.04748390 0.66733935 1.0 Zr Zr1 1 0.25000000 0.54428325 0.83046503 1.0 Zr Zr2 1 0.75000000 0.45627476 0.16288833 1.0 Zr Zr3 1 0.75000000 0.95071946 0.33248608 1.0 Nb Nb4 1 0.75000000 0.86277790 0.93979249 1.0 Nb Nb5 1 0.25000000 0.63413885 0.44143168 1.0 Nb Nb6 1 0.75000000 0.37245057 0.56366063 1.0 Nb Nb7 1 0.25000000 0.12867531 0.05753723 1.0 Al Al8 1 0.25000000 0.25319007 0.35960253 1.0 As As9 1 0.25000000 0.75281571 0.14324709 1.0 As As10 1 0.75000000 0.75168648 0.64174123 1.0 As As11 1 0.75000000 0.24550474 0.85980632 1.0