# generated using pymatgen
data_Zn2FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63478543
_cell_length_b   6.63478543
_cell_length_c   18.91932158
_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   'Zn12 Fe6 S18'
_cell_volume   721.25685763
_cell_formula_units_Z   6
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  0.50002900  1
  Zn  Zn1  1  0.33273700  0.99978600  0.33370000  1
  Zn  Zn2  1  0.00021400  0.33295100  0.33370000  1
  Zn  Zn3  1  0.66704900  0.66726300  0.33370000  1
  Zn  Zn4  1  0.66666700  0.33333300  0.83336300  1
  Zn  Zn5  1  0.99940400  0.33312000  0.66703400  1
  Zn  Zn6  1  0.66688000  0.66628400  0.66703400  1
  Zn  Zn7  1  0.33371600  0.00059600  0.66703400  1
  Zn  Zn8  1  0.33333300  0.66666700  0.16669600  1
  Zn  Zn9  1  0.66607000  0.66645300  0.00036700  1
  Zn  Zn10  1  0.33354700  0.99961700  0.00036700  1
  Zn  Zn11  1  0.00038300  0.33393000  0.00036700  1
  Fe  Fe12  1  0.66666700  0.33333300  0.50051300  1
  Fe  Fe13  1  0.33333300  0.66666700  0.50044800  1
  Fe  Fe14  1  0.33333300  0.66666700  0.83384600  1
  Fe  Fe15  1  0.00000000  0.00000000  0.83378100  1
  Fe  Fe16  1  0.00000000  0.00000000  0.16718000  1
  Fe  Fe17  1  0.66666700  0.33333300  0.16711400  1
  S  S18  1  0.66666700  0.33333300  0.62350900  1
  S  S19  1  0.33333300  0.66666700  0.62366300  1
  S  S20  1  0.00000000  0.00000000  0.62487200  1
  S  S21  1  0.33625500  0.99999400  0.45881300  1
  S  S22  1  0.00000600  0.33626100  0.45881300  1
  S  S23  1  0.66373900  0.66374500  0.45881300  1
  S  S24  1  0.33333300  0.66666700  0.95684200  1
  S  S25  1  0.00000000  0.00000000  0.95699600  1
  S  S26  1  0.66666700  0.33333300  0.95820500  1
  S  S27  1  0.00292200  0.33333300  0.79214600  1
  S  S28  1  0.66666700  0.66959500  0.79214600  1
  S  S29  1  0.33040500  0.99707800  0.79214600  1
  S  S30  1  0.00000000  0.00000000  0.29017500  1
  S  S31  1  0.66666700  0.33333300  0.29032900  1
  S  S32  1  0.33333300  0.66666700  0.29153800  1
  S  S33  1  0.66958800  0.66666700  0.12548000  1
  S  S34  1  0.33333300  0.00292800  0.12548000  1
  S  S35  1  0.99707200  0.33041200  0.12548000  1
