# generated using pymatgen
data_FeAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73503202
_cell_length_b   5.65879795
_cell_length_c   5.75059485
_cell_angle_alpha   90.00000000
_cell_angle_beta   112.05017274
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsS
_chemical_formula_sum   'Fe4 As4 S4'
_cell_volume   172.97558978
_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  0.78809700  0.99214500  0.29589000  1
  Fe  Fe1  1  0.21190300  0.00785500  0.70411000  1
  Fe  Fe2  1  0.21190300  0.49214500  0.20411000  1
  Fe  Fe3  1  0.78809700  0.50785500  0.79589000  1
  As  As4  1  0.35431600  0.86797200  0.13061500  1
  As  As5  1  0.64568400  0.13202800  0.86938500  1
  As  As6  1  0.64568400  0.36797200  0.36938500  1
  As  As7  1  0.35431600  0.63202800  0.63061500  1
  S  S8  1  0.84536800  0.86720800  0.67552700  1
  S  S9  1  0.15463200  0.13279200  0.32447300  1
  S  S10  1  0.15463200  0.36720800  0.82447300  1
  S  S11  1  0.84536800  0.63279200  0.17552700  1
