# generated using pymatgen data_GeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73576641 _cell_length_b 10.59744722 _cell_length_c 15.27225394 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAs2 _chemical_formula_sum 'Ge8 As16' _cell_volume 604.62223148 _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 Ge Ge0 1 -0.00000000 0.57718836 0.85139974 1.0 Ge Ge1 1 0.00000000 0.42281164 0.14860026 1.0 Ge Ge2 1 -0.00000000 0.07718836 0.64860026 1.0 Ge Ge3 1 -0.00000000 0.92281164 0.35139974 1.0 Ge Ge4 1 0.50000000 0.79304435 0.72959325 1.0 Ge Ge5 1 0.50000000 0.20695565 0.27040675 1.0 Ge Ge6 1 0.50000000 0.29304435 0.77040675 1.0 Ge Ge7 1 0.50000000 0.70695565 0.22959325 1.0 As As8 1 -0.00000000 0.64946237 0.69981318 1.0 As As9 1 -0.00000000 0.35053763 0.30018682 1.0 As As10 1 -0.00000000 0.14946237 0.80018682 1.0 As As11 1 -0.00000000 0.85053763 0.19981318 1.0 As As12 1 0.00000000 0.76117630 0.95003863 1.0 As As13 1 -0.00000000 0.23882370 0.04996137 1.0 As As14 1 -0.00000000 0.26117630 0.54996137 1.0 As As15 1 -0.00000000 0.73882370 0.45003863 1.0 As As16 1 0.50000000 0.88244865 0.88194717 1.0 As As17 1 0.50000000 0.11755135 0.11805283 1.0 As As18 1 0.50000000 0.38244865 0.61805283 1.0 As As19 1 0.50000000 0.61755135 0.38194717 1.0 As As20 1 0.50000000 0.94178233 0.60615475 1.0 As As21 1 0.50000000 0.05821767 0.39384525 1.0 As As22 1 0.50000000 0.44178333 0.89384525 1.0 As As23 1 0.50000000 0.55821767 0.10615475 1.0