# generated using pymatgen
data_Zn(FeS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57968204
_cell_length_b   6.57968204
_cell_length_c   18.64698035
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(FeS2)4
_chemical_formula_sum   'Zn3 Fe12 S24'
_cell_volume   699.11554513
_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  0.33333300  0.66666700  0.16666700  1
  Zn  Zn1  1  0.00000000  0.00000000  0.50000000  1
  Zn  Zn2  1  0.66666700  0.33333300  0.83333400  1
  Fe  Fe3  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.66666700  0.83333300  0.33333300  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.16666700  0.83333300  0.33333300  1
  Fe  Fe7  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe8  1  0.16666700  0.33333300  0.33333300  1
  Fe  Fe9  1  0.33333300  0.16666700  0.66666700  1
  Fe  Fe10  1  0.83333300  0.16666700  0.66666700  1
  Fe  Fe11  1  0.83333300  0.66666700  0.66666700  1
  Fe  Fe12  1  0.33333300  0.66666700  0.66666700  1
  Fe  Fe13  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe14  1  0.66666700  0.33333300  0.33333300  1
  S  S15  1  0.00953500  0.50476800  0.26210000  1
  S  S16  1  0.65713200  0.82856500  0.07123300  1
  S  S17  1  0.49523200  0.50476700  0.26210000  1
  S  S18  1  0.17143500  0.82856600  0.07123300  1
  S  S19  1  0.49523300  0.99046500  0.26210000  1
  S  S20  1  0.17143400  0.34286800  0.07123300  1
  S  S21  1  0.67620200  0.83810100  0.59543300  1
  S  S22  1  0.32379800  0.16189900  0.40456700  1
  S  S23  1  0.16189900  0.83810000  0.59543300  1
  S  S24  1  0.83810100  0.16190000  0.40456700  1
  S  S25  1  0.16190000  0.32379800  0.59543300  1
  S  S26  1  0.83810000  0.67620200  0.40456700  1
  S  S27  1  0.34286800  0.17143500  0.92876700  1
  S  S28  1  0.99046500  0.49523200  0.73790000  1
  S  S29  1  0.82856500  0.17143400  0.92876700  1
  S  S30  1  0.50476800  0.49523300  0.73790000  1
  S  S31  1  0.82856600  0.65713200  0.92876700  1
  S  S32  1  0.50476700  0.00953500  0.73790000  1
  S  S33  1  0.00000000  0.00000000  0.26346600  1
  S  S34  1  0.66666700  0.33333300  0.06986700  1
  S  S35  1  0.66666700  0.33333300  0.59679900  1
  S  S36  1  0.33333300  0.66666700  0.40320100  1
  S  S37  1  0.33333300  0.66666700  0.93013300  1
  S  S38  1  0.00000000  0.00000000  0.73653400  1
