# generated using pymatgen data_Zr2Nb2SiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63086705 _cell_length_b 7.05088393 _cell_length_c 8.54776747 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Nb2SiAs _chemical_formula_sum 'Zr4 Nb4 Si2 As2' _cell_volume 218.82987464 _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 Zr Zr0 1 0.25000000 0.54745701 0.83343090 1.0 Zr Zr1 1 0.75000000 0.95254299 0.33343090 1.0 Zr Zr2 1 0.25000000 0.03800515 0.66716340 1.0 Zr Zr3 1 0.75000000 0.46199485 0.16716340 1.0 Nb Nb4 1 0.25000000 0.13265066 0.06008111 1.0 Nb Nb5 1 0.75000000 0.86542083 0.94062238 1.0 Nb Nb6 1 0.25000000 0.63457917 0.44062238 1.0 Nb Nb7 1 0.75000000 0.36734934 0.56008111 1.0 Si Si8 1 0.75000000 0.74326913 0.64017563 1.0 Si Si9 1 0.25000000 0.75673087 0.14017563 1.0 As As10 1 0.75000000 0.24701814 0.85852658 1.0 As As11 1 0.25000000 0.25298186 0.35852658 1.0