# generated using pymatgen data_Zr4Nb4AlP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57905267 _cell_length_b 7.01409656 _cell_length_c 8.47793585 _cell_angle_alpha 89.42932442 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb4AlP3 _chemical_formula_sum 'Zr4 Nb4 Al1 P3' _cell_volume 212.81802715 _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 0.53219619 0.84029732 1.0 Zr Zr1 1 0.75000000 0.96059521 0.32902777 1.0 Zr Zr2 1 0.25000000 0.04950514 0.66944316 1.0 Zr Zr3 1 0.75000000 0.46313904 0.17157580 1.0 Nb Nb4 1 0.25000000 0.14187679 0.06074758 1.0 Nb Nb5 1 0.75000000 0.86898629 0.94622052 1.0 Nb Nb6 1 0.25000000 0.62729867 0.43114616 1.0 Nb Nb7 1 0.75000000 0.35946834 0.55723516 1.0 Al Al8 1 0.75000000 0.74316642 0.64026301 1.0 P P9 1 0.25000000 0.76112563 0.14006754 1.0 P P10 1 0.75000000 0.23954813 0.85639211 1.0 P P11 1 0.25000000 0.25309416 0.35758586 1.0