# generated using pymatgen
data_Fe3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58500000
_cell_length_b   3.04200000
_cell_length_c   6.28400000
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.82200000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3S
_chemical_formula_sum   'Fe12 S4'
_cell_volume   202.23979894
_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  0.03024000  0.25000000  0.15050000  1
  Fe  Fe1  1  0.96976000  0.75000000  0.84950000  1
  Fe  Fe2  1  0.79406000  0.25000000  0.93813000  1
  Fe  Fe3  1  0.20594000  0.75000000  0.06187000  1
  Fe  Fe4  1  0.14395000  0.25000000  0.75703000  1
  Fe  Fe5  1  0.85605000  0.75000000  0.24297000  1
  Fe  Fe6  1  0.27510000  0.25000000  0.36635000  1
  Fe  Fe7  1  0.72490000  0.75000000  0.63365000  1
  Fe  Fe8  1  0.39068000  0.25000000  0.94395000  1
  Fe  Fe9  1  0.60932000  0.75000000  0.05605000  1
  Fe  Fe10  1  0.91077000  0.25000000  0.54947000  1
  Fe  Fe11  1  0.08923000  0.75000000  0.45053000  1
  S  S12  1  0.58167000  0.25000000  0.78174000  1
  S  S13  1  0.41833000  0.75000000  0.21826000  1
  S  S14  1  0.70420000  0.25000000  0.31079000  1
  S  S15  1  0.29580000  0.75000000  0.68921000  1
