# generated using pymatgen data_Zr3GeAs5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71087400 _cell_length_b 6.80645800 _cell_length_c 27.62834332 _cell_angle_alpha 89.99128380 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3GeAs5 _chemical_formula_sum 'Zr12 Ge4 As20' _cell_volume 697.83414636 _cell_formula_units_Z 4 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 0.50000000 0.72834000 0.71956000 1.0 Zr Zr1 1 0.50000000 0.72653200 0.38659100 1.0 Zr Zr2 1 0.50000000 0.72691500 0.05332000 1.0 Zr Zr3 1 0.50000000 0.22814600 0.78065400 1.0 Zr Zr4 1 0.50000000 0.22893000 0.44620700 1.0 Zr Zr5 1 0.50000000 0.22861200 0.11325400 1.0 Zr Zr6 1 0.00000000 0.27153600 0.94561900 1.0 Zr Zr7 1 0.00000000 0.27092900 0.61102600 1.0 Zr Zr8 1 0.00000000 0.27155500 0.27884200 1.0 Zr Zr9 1 0.00000000 0.77112700 0.88845300 1.0 Zr Zr10 1 0.00000000 0.77114900 0.55533200 1.0 Zr Zr11 1 0.00000000 0.77159200 0.22154100 1.0 Ge Ge12 1 0.50000000 0.62764400 0.81846900 1.0 Ge Ge13 1 0.50000000 0.62600800 0.48523400 1.0 Ge Ge14 1 0.50000000 0.62612000 0.15184900 1.0 Ge Ge15 1 0.50000000 0.12754100 0.68142600 1.0 As As16 1 0.50000000 0.58338700 0.95093000 1.0 As As17 1 0.50000000 0.58340100 0.61748600 1.0 As As18 1 0.50000000 0.58352400 0.28396900 1.0 As As19 1 0.50000000 0.08300300 0.88300200 1.0 As As20 1 0.50000000 0.08350300 0.54904700 1.0 As As21 1 0.50000000 0.08333800 0.21621000 1.0 As As22 1 0.00000000 0.40453300 0.71553300 1.0 As As23 1 0.00000000 0.41399500 0.38266800 1.0 As As24 1 0.00000000 0.41404800 0.04953100 1.0 As As25 1 0.00000000 0.90537300 0.78445300 1.0 As As26 1 0.00000000 0.90635500 0.45129400 1.0 As As27 1 0.00000000 0.90690100 0.11783600 1.0 As As28 1 0.50000000 0.12268100 0.34763200 1.0 As As29 1 0.50000000 0.12243500 0.01435300 1.0 As As30 1 0.00000000 0.38639500 0.84716800 1.0 As As31 1 0.00000000 0.38506100 0.51327100 1.0 As As32 1 0.00000000 0.38569500 0.18029200 1.0 As As33 1 0.00000000 0.87904700 0.98576600 1.0 As As34 1 0.00000000 0.88567300 0.65309200 1.0 As As35 1 0.00000000 0.87897500 0.31909200 1.0