# generated using pymatgen data_Zr4Nb4SiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63398491 _cell_length_b 7.05883016 _cell_length_c 8.55877013 _cell_angle_alpha 90.03962110 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb4SiAs3 _chemical_formula_sum 'Zr4 Nb4 Si1 As3' _cell_volume 219.54679978 _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 0.04357664 0.66388608 1.0 Zr Zr1 1 0.25000000 0.54158598 0.83273863 1.0 Zr Zr2 1 0.75000000 0.45504915 0.16952765 1.0 Zr Zr3 1 0.75000000 0.96308227 0.33362041 1.0 Nb Nb4 1 0.75000000 0.86414008 0.94019914 1.0 Nb Nb5 1 0.25000000 0.63239707 0.43944189 1.0 Nb Nb6 1 0.75000000 0.36431004 0.55801015 1.0 Nb Nb7 1 0.25000000 0.13397434 0.06137323 1.0 Si Si8 1 0.25000000 0.25675726 0.35906808 1.0 As As9 1 0.25000000 0.75474521 0.14280139 1.0 As As10 1 0.75000000 0.74620699 0.64100315 1.0 As As11 1 0.75000000 0.24417396 0.85833021 1.0