# generated using pymatgen
data_Fe2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49754699
_cell_length_b   6.72438257
_cell_length_c   11.94200781
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.49333282
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiS4
_chemical_formula_sum   'Fe8 Si4 S16'
_cell_volume   441.45111285
_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  0.50000000  0.00000000  -0.00000000  1
  Fe  Fe1  1  0.50000000  0.50000000  -0.00000000  1
  Fe  Fe2  1  0.50025400  0.26038200  0.25915000  1
  Fe  Fe3  1  0.50025400  0.73961800  0.25915000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.49974600  0.26038200  0.74085000  1
  Fe  Fe7  1  0.49974600  0.73961800  0.74085000  1
  Si  Si8  1  0.09268800  0.50000000  0.17249800  1
  Si  Si9  1  0.91606600  0.00000000  0.33602400  1
  Si  Si10  1  0.08393400  0.00000000  0.66397600  1
  Si  Si11  1  0.90731200  0.50000000  0.82750200  1
  S  S12  1  0.28230600  0.25647100  0.09171000  1
  S  S13  1  0.28230600  0.74352900  0.09171000  1
  S  S14  1  0.70032400  0.50000000  0.16498300  1
  S  S15  1  0.71675300  0.00000000  0.17781800  1
  S  S16  1  0.24589800  0.50000000  0.33795200  1
  S  S17  1  0.31327500  0.00000000  0.33470100  1
  S  S18  1  0.74927700  0.24856100  0.41964200  1
  S  S19  1  0.74927700  0.75143900  0.41964200  1
  S  S20  1  0.25072300  0.24856100  0.58035800  1
  S  S21  1  0.25072300  0.75143900  0.58035800  1
  S  S22  1  0.68672500  0.00000000  0.66529900  1
  S  S23  1  0.75410200  0.50000000  0.66204800  1
  S  S24  1  0.28324700  0.00000000  0.82218200  1
  S  S25  1  0.29967600  0.50000000  0.83501700  1
  S  S26  1  0.71769400  0.25647100  0.90829000  1
  S  S27  1  0.71769400  0.74352900  0.90829000  1
