# generated using pymatgen data_ZnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69436264 _cell_length_b 8.02387316 _cell_length_c 9.26330243 _cell_angle_alpha 102.50121340 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAs2 _chemical_formula_sum 'Zn8 As16' _cell_volume 558.34421824 _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 0.74947005 0.39479191 0.08179493 1.0 Zn Zn1 1 0.24947005 0.10520809 0.91820507 1.0 Zn Zn2 1 0.25052995 0.60520809 0.91820507 1.0 Zn Zn3 1 0.75052995 0.89479191 0.08179493 1.0 Zn Zn4 1 0.10120276 0.22244030 0.38906059 1.0 Zn Zn5 1 0.60120276 0.27755970 0.61093941 1.0 Zn Zn6 1 0.89879724 0.77755970 0.61093941 1.0 Zn Zn7 1 0.39879724 0.72244030 0.38906059 1.0 As As8 1 0.42453292 0.21917896 0.38522487 1.0 As As9 1 0.92453292 0.28082104 0.61477513 1.0 As As10 1 0.57546708 0.78082104 0.61477513 1.0 As As11 1 0.07546708 0.71917896 0.38522487 1.0 As As12 1 0.01261120 0.43245736 0.23798194 1.0 As As13 1 0.51261120 0.06754264 0.76201806 1.0 As As14 1 0.98738880 0.56754264 0.76201806 1.0 As As15 1 0.48738880 0.93245736 0.23798194 1.0 As As16 1 0.49142399 0.43611950 0.24339776 1.0 As As17 1 0.99142399 0.06388050 0.75660224 1.0 As As18 1 0.50857601 0.56388050 0.75660224 1.0 As As19 1 0.00857601 0.93611950 0.24339776 1.0 As As20 1 0.25538677 0.39207944 0.06672323 1.0 As As21 1 0.75538677 0.10792056 0.93327677 1.0 As As22 1 0.74461323 0.60792056 0.93327677 1.0 As As23 1 0.24461323 0.89207944 0.06672323 1.0