# generated using pymatgen
data_FeAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63888855
_cell_length_b   5.69274417
_cell_length_c   5.71179883
_cell_angle_alpha   111.66926788
_cell_angle_beta   89.99915269
_cell_angle_gamma   90.00154604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsS
_chemical_formula_sum   'Fe4 As4 S4'
_cell_volume   170.39560715
_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
  Fe  Fe0  1  0.49116796  0.71287967  0.20349643  1.0
  Fe  Fe1  1  0.50883204  0.28712033  0.79650357  1.0
  Fe  Fe2  1  0.99116396  0.28712518  0.29650928  1.0
  Fe  Fe3  1  0.00883604  0.71287482  0.70349072  1.0
  As  As4  1  0.36905739  0.14704908  0.37203813  1.0
  As  As5  1  0.86906529  0.85296177  0.12796311  1.0
  As  As6  1  0.13093471  0.14703823  0.87203689  1.0
  As  As7  1  0.63094261  0.85295092  0.62796187  1.0
  S  S8  1  0.86989342  0.34776203  0.67801271  1.0
  S  S9  1  0.36989267  0.65223720  0.82198731  1.0
  S  S10  1  0.63010733  0.34776280  0.17801269  1.0
  S  S11  1  0.13010658  0.65223797  0.32198729  1.0