# generated using pymatgen
data_Fe2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.16652664
_cell_length_b   7.02692684
_cell_length_c   5.80815663
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiS4
_chemical_formula_sum   'Fe8 Si4 S16'
_cell_volume   496.55843421
_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  0.50717400  0.75000000  0.73790400  1
  Fe  Fe1  1  0.00717400  0.25000000  0.76209600  1
  Fe  Fe2  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe3  1  0.49282600  0.25000000  0.26209600  1
  Fe  Fe4  1  0.99282600  0.75000000  0.23790400  1
  Fe  Fe5  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe7  1  0.00000000  0.50000000  0.50000000  1
  Si  Si8  1  0.90770200  0.25000000  0.08795900  1
  Si  Si9  1  0.09229800  0.75000000  0.91204100  1
  Si  Si10  1  0.59229800  0.25000000  0.58795900  1
  Si  Si11  1  0.40770200  0.75000000  0.41204100  1
  S  S12  1  0.25918200  0.75000000  0.57458400  1
  S  S13  1  0.22298300  0.25000000  0.59153300  1
  S  S14  1  0.25077400  0.50923600  0.83213600  1
  S  S15  1  0.74081800  0.25000000  0.42541600  1
  S  S16  1  0.75077400  0.00923600  0.66786400  1
  S  S17  1  0.75077400  0.49076400  0.66786400  1
  S  S18  1  0.24922600  0.50923600  0.33213600  1
  S  S19  1  0.27701700  0.25000000  0.09153300  1
  S  S20  1  0.24081800  0.75000000  0.07458400  1
  S  S21  1  0.72298300  0.75000000  0.90846700  1
  S  S22  1  0.25077400  0.99076400  0.83213600  1
  S  S23  1  0.77701700  0.75000000  0.40846700  1
  S  S24  1  0.74922600  0.00923600  0.16786400  1
  S  S25  1  0.75918200  0.25000000  0.92541600  1
  S  S26  1  0.24922600  0.99076400  0.33213600  1
  S  S27  1  0.74922600  0.49076400  0.16786400  1
