# generated using pymatgen
data_Zn2FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83808972
_cell_length_b   11.51891468
_cell_length_c   5.43029002
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeS3
_chemical_formula_sum   'Zn4 Fe2 S6'
_cell_volume   240.07653211
_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
  Zn  Zn0  1  0.00000000  0.16652900  0.99967200  1
  Zn  Zn1  1  0.00000000  0.83347100  0.99967200  1
  Zn  Zn2  1  0.50000000  0.66652900  0.49967200  1
  Zn  Zn3  1  0.50000000  0.33347100  0.49967200  1
  Fe  Fe4  1  0.00000000  0.50000000  0.99857800  1
  Fe  Fe5  1  0.50000000  0.00000000  0.49857800  1
  S  S6  1  0.00000000  0.33472500  0.75261800  1
  S  S7  1  0.00000000  0.66527500  0.75261800  1
  S  S8  1  0.50000000  0.83472500  0.25261800  1
  S  S9  1  0.50000000  0.16527500  0.25261800  1
  S  S10  1  0.00000000  0.00000000  0.74684400  1
  S  S11  1  0.50000000  0.50000000  0.24684400  1
