# generated using pymatgen
data_Zn3FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83491313
_cell_length_b   3.83491313
_cell_length_c   37.70276491
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3FeS4
_chemical_formula_sum   'Zn9 Fe3 S12'
_cell_volume   480.19196963
_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  0.00003800  1
  Zn  Zn1  1  0.66666700  0.33333300  0.33337100  1
  Zn  Zn2  1  0.33333300  0.66666700  0.66670500  1
  Zn  Zn3  1  0.00000000  0.00000000  0.50007700  1
  Zn  Zn4  1  0.66666700  0.33333300  0.83341000  1
  Zn  Zn5  1  0.33333300  0.66666700  0.16674400  1
  Zn  Zn6  1  0.00000000  0.00000000  0.75005500  1
  Zn  Zn7  1  0.66666700  0.33333300  0.08338800  1
  Zn  Zn8  1  0.33333300  0.66666700  0.41672200  1
  Fe  Fe9  1  0.00000000  0.00000000  0.25011500  1
  Fe  Fe10  1  0.66666700  0.33333300  0.58344800  1
  Fe  Fe11  1  0.33333300  0.66666700  0.91678200  1
  S  S12  1  0.00000000  0.00000000  0.06248100  1
  S  S13  1  0.66666700  0.33333300  0.39581400  1
  S  S14  1  0.33333300  0.66666700  0.72914800  1
  S  S15  1  0.00000000  0.00000000  0.31201800  1
  S  S16  1  0.66666700  0.33333300  0.64535100  1
  S  S17  1  0.33333300  0.66666700  0.97868500  1
  S  S18  1  0.00000000  0.00000000  0.56275400  1
  S  S19  1  0.66666700  0.33333300  0.89608700  1
  S  S20  1  0.33333300  0.66666700  0.22942100  1
  S  S21  1  0.00000000  0.00000000  0.81246300  1
  S  S22  1  0.66666700  0.33333300  0.14579600  1
  S  S23  1  0.33333300  0.66666700  0.47913000  1
