# generated using pymatgen
data_Na3FeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83011103
_cell_length_b   7.10379528
_cell_length_c   14.57209586
_cell_angle_alpha   60.07576480
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3FeS3
_chemical_formula_sum   'Na12 Fe4 S12'
_cell_volume   612.77623118
_cell_formula_units_Z   4
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
  Na  Na0  1  0.01371414  0.94384866  0.88875033  1.0
  Na  Na1  1  0.48628586  0.94384866  0.38875033  1.0
  Na  Na2  1  0.98628586  0.05615134  0.11124967  1.0
  Na  Na3  1  0.97298831  0.50814617  0.71440243  1.0
  Na  Na4  1  0.51310602  0.87756056  0.90637461  1.0
  Na  Na5  1  0.51371414  0.05615134  0.61124967  1.0
  Na  Na6  1  0.47298831  0.49185383  0.78559757  1.0
  Na  Na7  1  0.01310602  0.12243944  0.59362539  1.0
  Na  Na8  1  0.52701169  0.50814617  0.21440243  1.0
  Na  Na9  1  0.98689398  0.87756056  0.40637461  1.0
  Na  Na10  1  0.02701169  0.49185383  0.28559757  1.0
  Na  Na11  1  0.48689398  0.12243944  0.09362539  1.0
  Fe  Fe12  1  0.13861649  0.50134341  0.08257472  1.0
  Fe  Fe13  1  0.86138351  0.49865659  0.91742528  1.0
  Fe  Fe14  1  0.63861649  0.49865659  0.41742528  1.0
  Fe  Fe15  1  0.36138351  0.50134341  0.58257472  1.0
  S  S16  1  0.25024074  0.80191255  0.57646520  1.0
  S  S17  1  0.73179979  0.79932497  0.27153325  1.0
  S  S18  1  0.29528793  0.49324215  0.42992631  1.0
  S  S19  1  0.23179979  0.20067503  0.22846675  1.0
  S  S20  1  0.20471207  0.49324215  0.92992631  1.0
  S  S21  1  0.70471207  0.50675785  0.57007369  1.0
  S  S22  1  0.74975926  0.19808745  0.42353480  1.0
  S  S23  1  0.26820021  0.20067503  0.72846675  1.0
  S  S24  1  0.79528793  0.50675785  0.07007369  1.0
  S  S25  1  0.76820021  0.79932497  0.77153325  1.0
  S  S26  1  0.75024074  0.19808745  0.92353480  1.0
  S  S27  1  0.24975926  0.80191255  0.07646520  1.0