# generated using pymatgen data_Zn3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32681239 _cell_length_b 8.32681239 _cell_length_c 11.73578054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3As2 _chemical_formula_sum 'Zn24 As16' _cell_volume 813.70978609 _cell_formula_units_Z 8 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 Zn Zn0 1 0.25000000 0.97198648 0.86005347 1.0 Zn Zn1 1 0.52801352 0.25000000 0.36005347 1.0 Zn Zn2 1 0.97198648 0.25000000 0.36005347 1.0 Zn Zn3 1 0.75000000 0.02801352 0.13994653 1.0 Zn Zn4 1 0.75000000 0.47198648 0.13994653 1.0 Zn Zn5 1 0.25000000 0.52801352 0.86005347 1.0 Zn Zn6 1 0.47198648 0.75000000 0.63994653 1.0 Zn Zn7 1 0.02801352 0.75000000 0.63994653 1.0 Zn Zn8 1 0.25000000 0.03042745 0.13616654 1.0 Zn Zn9 1 0.46957255 0.25000000 0.63616654 1.0 Zn Zn10 1 0.03042745 0.25000000 0.63616654 1.0 Zn Zn11 1 0.75000000 0.96957255 0.86383346 1.0 Zn Zn12 1 0.75000000 0.53042745 0.86383346 1.0 Zn Zn13 1 0.25000000 0.46957255 0.13616654 1.0 Zn Zn14 1 0.53042745 0.75000000 0.36383346 1.0 Zn Zn15 1 0.96957255 0.75000000 0.36383346 1.0 Zn Zn16 1 0.25000000 0.99675958 0.39619305 1.0 Zn Zn17 1 0.50324042 0.25000000 0.89619305 1.0 Zn Zn18 1 0.99675958 0.25000000 0.89619305 1.0 Zn Zn19 1 0.75000000 0.00324042 0.60380695 1.0 Zn Zn20 1 0.75000000 0.49675958 0.60380695 1.0 Zn Zn21 1 0.25000000 0.50324042 0.39619305 1.0 Zn Zn22 1 0.49675958 0.75000000 0.10380695 1.0 Zn Zn23 1 0.00324042 0.75000000 0.10380695 1.0 As As24 1 0.25000000 0.75000000 0.99674895 1.0 As As25 1 0.75000000 0.25000000 0.49674895 1.0 As As26 1 0.75000000 0.25000000 0.00325105 1.0 As As27 1 0.25000000 0.75000000 0.50325105 1.0 As As28 1 0.25000000 0.25000000 0.99632960 1.0 As As29 1 0.25000000 0.25000000 0.49632960 1.0 As As30 1 0.75000000 0.75000000 0.00367040 1.0 As As31 1 0.75000000 0.75000000 0.50367040 1.0 As As32 1 0.50231554 0.00231554 0.75000000 1.0 As As33 1 0.49768446 0.50231554 0.25000000 1.0 As As34 1 0.00231554 0.99768446 0.25000000 1.0 As As35 1 0.99768446 0.49768446 0.75000000 1.0 As As36 1 0.49768446 0.99768446 0.25000000 1.0 As As37 1 0.50231554 0.49768446 0.75000000 1.0 As As38 1 0.99768446 0.00231554 0.75000000 1.0 As As39 1 0.00231554 0.50231554 0.25000000 1.0