# generated using pymatgen
data_Fe2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76032633
_cell_length_b   6.76032633
_cell_length_c   5.43243725
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiS4
_chemical_formula_sum   'Fe4 Si2 S8'
_cell_volume   215.01099602
_cell_formula_units_Z   2
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  0.50000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1
  Si  Si4  1  0.66666700  0.33333300  0.91662900  1
  Si  Si5  1  0.33333300  0.66666700  0.08337100  1
  S  S6  1  0.33547600  0.16773800  0.74747100  1
  S  S7  1  0.66666700  0.33333300  0.31316600  1
  S  S8  1  0.83226200  0.66452400  0.74747100  1
  S  S9  1  0.83226200  0.16773800  0.74747100  1
  S  S10  1  0.16773800  0.33547600  0.25252900  1
  S  S11  1  0.16773800  0.83226200  0.25252900  1
  S  S12  1  0.33333300  0.66666700  0.68683400  1
  S  S13  1  0.66452400  0.83226200  0.25252900  1
