# generated using pymatgen
data_Zn2FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82934648
_cell_length_b   3.82934648
_cell_length_c   9.45313178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeS3
_chemical_formula_sum   'Zn2 Fe1 S3'
_cell_volume   120.04820485
_cell_formula_units_Z   1
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  0.33333300  0.66666700  0.66733200  1
  Zn  Zn1  1  0.66666700  0.33333300  0.33384100  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00086900  1
  S  S3  1  0.00000000  0.00000000  0.24719600  1
  S  S4  1  0.33333300  0.66666700  0.91767600  1
  S  S5  1  0.66666700  0.33333300  0.58308700  1
