# generated using pymatgen data_Fe5SiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84037050 _cell_length_b 6.84037050 _cell_length_c 12.46564508 _cell_angle_alpha 89.77697916 _cell_angle_beta 89.77697916 _cell_angle_gamma 120.02963732 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5SiAs _chemical_formula_sum 'Fe30 Si6 As6' _cell_volume 504.96547932 _cell_formula_units_Z 6 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 Fe Fe0 1 0.99993900 0.99993900 0.44817600 1.0 Fe Fe1 1 0.99721400 0.99721400 0.95215800 1.0 Fe Fe2 1 0.62834200 0.62834200 0.71610800 1.0 Fe Fe3 1 0.99886000 0.36911300 0.71521800 1.0 Fe Fe4 1 0.36911300 0.99886000 0.71521800 1.0 Fe Fe5 1 0.37161000 0.37161000 0.21050100 1.0 Fe Fe6 1 0.00147900 0.63500300 0.20902500 1.0 Fe Fe7 1 0.63500300 0.00147900 0.20902500 1.0 Fe Fe8 1 0.31506600 0.31506600 0.82443600 1.0 Fe Fe9 1 0.99624600 0.68122900 0.82648700 1.0 Fe Fe10 1 0.68122900 0.99624600 0.82648700 1.0 Fe Fe11 1 0.68489600 0.68489600 0.32224200 1.0 Fe Fe12 1 0.00031200 0.31696800 0.32198000 1.0 Fe Fe13 1 0.31696800 0.00031200 0.32198000 1.0 Fe Fe14 1 0.27942700 0.27942700 0.61856600 1.0 Fe Fe15 1 0.99908200 0.72136700 0.61917600 1.0 Fe Fe16 1 0.72136700 0.99908200 0.61917600 1.0 Fe Fe17 1 0.72671600 0.72671600 0.11640900 1.0 Fe Fe18 1 0.99539600 0.28981700 0.11577800 1.0 Fe Fe19 1 0.28981700 0.99539600 0.11577800 1.0 Fe Fe20 1 0.66758100 0.33335200 0.59936600 1.0 Fe Fe21 1 0.33335200 0.66758100 0.59936600 1.0 Fe Fe22 1 0.33659700 0.66871800 0.08864000 1.0 Fe Fe23 1 0.66871800 0.33659700 0.08864000 1.0 Fe Fe24 1 0.64446800 0.64446800 0.91736600 1.0 Fe Fe25 1 0.98774400 0.35574500 0.91576800 1.0 Fe Fe26 1 0.35574500 0.98774400 0.91576800 1.0 Fe Fe27 1 0.36190900 0.36190900 0.40854700 1.0 Fe Fe28 1 0.99917000 0.63768100 0.40851200 1.0 Fe Fe29 1 0.63768100 0.99917000 0.40851200 1.0 Si Si30 1 0.00143000 0.66709900 0.01539200 1.0 Si Si31 1 0.66709900 0.00143000 0.01539200 1.0 Si Si32 1 0.66470000 0.33060500 0.79665500 1.0 Si Si33 1 0.33060500 0.66470000 0.79665500 1.0 Si Si34 1 0.33360400 0.66787400 0.28727600 1.0 Si Si35 1 0.66787400 0.33360400 0.28727600 1.0 As As36 1 0.99967700 0.99967700 0.75326200 1.0 As As37 1 0.00269900 0.00269900 0.24856400 1.0 As As38 1 0.66501700 0.66501700 0.51592100 1.0 As As39 1 0.00048300 0.33481100 0.51532800 1.0 As As40 1 0.33481100 0.00048300 0.51532800 1.0 As As41 1 0.33095600 0.33095600 0.01454400 1.0