# generated using pymatgen
data_Fe3(Se2S)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46259733
_cell_length_b   3.52880641
_cell_length_c   10.83084933
_cell_angle_alpha   90.00000000
_cell_angle_beta   99.18582777
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(Se2S)2
_chemical_formula_sum   'Fe6 Se8 S4'
_cell_volume   281.56252340
_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  0.17036600  0.50000000  0.33863100  1
  Fe  Fe1  1  0.49914400  0.50000000  0.99906000  1
  Fe  Fe2  1  0.83820600  0.50000000  0.67182500  1
  Fe  Fe3  1  0.66649500  0.00000000  0.32728900  1
  Fe  Fe4  1  0.00129100  0.00000000  0.99314700  1
  Fe  Fe5  1  0.33344700  0.00000000  0.66781600  1
  Se  Se6  1  0.65690800  0.50000000  0.47188600  1
  Se  Se7  1  0.98988200  0.50000000  0.13724700  1
  Se  Se8  1  0.68255300  0.00000000  0.94906200  1
  Se  Se9  1  0.01772300  0.00000000  0.61974200  1
  Se  Se10  1  0.34992900  0.00000000  0.28396200  1
  Se  Se11  1  0.31568500  0.00000000  0.04758000  1
  Se  Se12  1  0.65109900  0.00000000  0.71852000  1
  Se  Se13  1  0.98413900  0.00000000  0.38465600  1
  S  S14  1  0.67013300  0.50000000  0.19279800  1
  S  S15  1  0.00866600  0.50000000  0.86084600  1
  S  S16  1  0.33783900  0.50000000  0.53155400  1
  S  S17  1  0.32649500  0.50000000  0.80437800  1
