# generated using pymatgen data_ZrSiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59322500 _cell_length_b 6.52898000 _cell_length_c 9.36399200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSiAs _chemical_formula_sum 'Zr4 Si4 As4' _cell_volume 219.68013404 _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 0.25000000 0.72733800 0.83701200 1.0 Zr Zr1 1 0.75000000 0.27266200 0.16298800 1.0 Zr Zr2 1 0.75000000 0.77266200 0.33701200 1.0 Zr Zr3 1 0.25000000 0.22733800 0.66298800 1.0 Si Si4 1 0.25000000 0.61661100 0.54007200 1.0 Si Si5 1 0.75000000 0.38338900 0.45992800 1.0 Si Si6 1 0.75000000 0.88338900 0.04007200 1.0 Si Si7 1 0.25000000 0.11661100 0.95992800 1.0 As As8 1 0.25000000 0.61412600 0.13921800 1.0 As As9 1 0.75000000 0.38587400 0.86078200 1.0 As As10 1 0.75000000 0.88587400 0.63921800 1.0 As As11 1 0.25000000 0.11412600 0.36078200 1.0