# generated using pymatgen
data_Zn(FeS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79574350
_cell_length_b   6.79574350
_cell_length_c   16.53508597
_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   661.31906913
_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  0.66666700  1
  Zn  Zn1  1  0.66666700  0.33333300  0.33333300  1
  Zn  Zn2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  -0.00000000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.16666700  0.83333300  0.33333300  1
  Fe  Fe6  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.16666700  0.33333300  0.33333300  1
  Fe  Fe8  1  0.66666700  0.83333300  0.33333300  1
  Fe  Fe9  1  0.83333300  0.16666700  0.66666700  1
  Fe  Fe10  1  0.83333300  0.66666700  0.66666700  1
  Fe  Fe11  1  0.33333300  0.16666700  0.66666700  1
  Fe  Fe12  1  0.33333300  0.66666700  0.16666700  1
  Fe  Fe13  1  0.66666700  0.33333300  0.83333300  1
  Fe  Fe14  1  0.00000000  0.00000000  0.50000000  1
  S  S15  1  0.02415400  0.51207700  0.25503200  1
  S  S16  1  0.97584600  0.48792300  0.74496800  1
  S  S17  1  0.48792300  0.51207700  0.25503200  1
  S  S18  1  0.17874400  0.82125600  0.07830100  1
  S  S19  1  0.48792300  0.97584600  0.25503200  1
  S  S20  1  0.17874400  0.35748700  0.07830100  1
  S  S21  1  0.69082100  0.84541000  0.58836500  1
  S  S22  1  0.64251300  0.82125600  0.07830100  1
  S  S23  1  0.15459000  0.84541000  0.58836500  1
  S  S24  1  0.84541000  0.15459000  0.41163500  1
  S  S25  1  0.15459000  0.30917900  0.58836500  1
  S  S26  1  0.84541000  0.69082100  0.41163500  1
  S  S27  1  0.35748700  0.17874400  0.92169900  1
  S  S28  1  0.30917900  0.15459000  0.41163500  1
  S  S29  1  0.82125600  0.17874400  0.92169900  1
  S  S30  1  0.51207700  0.48792300  0.74496800  1
  S  S31  1  0.82125600  0.64251300  0.92169900  1
  S  S32  1  0.51207700  0.02415400  0.74496800  1
  S  S33  1  0.00000000  0.00000000  0.25962100  1
  S  S34  1  0.00000000  0.00000000  0.74037900  1
  S  S35  1  0.66666700  0.33333300  0.07371200  1
  S  S36  1  0.66666700  0.33333300  0.59295400  1
  S  S37  1  0.33333300  0.66666700  0.40704600  1
  S  S38  1  0.33333300  0.66666700  0.92628800  1
