# generated using pymatgen
data_ZnFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81939287
_cell_length_b   3.81939287
_cell_length_c   18.84133334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeS2
_chemical_formula_sum   'Zn3 Fe3 S6'
_cell_volume   238.02958033
_cell_formula_units_Z   3
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  0.00000000  0.00024600  1
  Zn  Zn1  1  0.66666700  0.33333300  0.33357900  1
  Zn  Zn2  1  0.33333300  0.66666700  0.66691300  1
  Fe  Fe3  1  0.00000000  0.00000000  0.50028800  1
  Fe  Fe4  1  0.66666700  0.33333300  0.83362100  1
  Fe  Fe5  1  0.33333300  0.66666700  0.16695500  1
  S  S6  1  0.00000000  0.00000000  0.12551900  1
  S  S7  1  0.66666700  0.33333300  0.45885200  1
  S  S8  1  0.33333300  0.66666700  0.79218600  1
  S  S9  1  0.00000000  0.00000000  0.62394800  1
  S  S10  1  0.66666700  0.33333300  0.95728100  1
  S  S11  1  0.33333300  0.66666700  0.29061500  1
