# generated using pymatgen
data_Ta3FeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74436288
_cell_length_b   5.74436283
_cell_length_c   11.85113972
_cell_angle_alpha   90.00004017
_cell_angle_beta   89.99992853
_cell_angle_gamma   119.99984288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3FeS6
_chemical_formula_sum   'Ta6 Fe2 S12'
_cell_volume   338.66878406
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.00000212  0.00000124  0.50002288  1.0
  Ta  Ta1  1  -0.00000154  -0.00000156  -0.00002365  1.0
  Ta  Ta2  1  0.33333345  0.66666736  0.50470657  1.0
  Ta  Ta3  1  0.66666754  0.33333385  0.49532444  1.0
  Ta  Ta4  1  0.66666546  0.33333401  0.00468338  1.0
  Ta  Ta5  1  0.33333313  0.66666545  0.99528735  1.0
  Fe  Fe6  1  0.33333362  0.66666643  0.24999372  1.0
  Fe  Fe7  1  0.66666559  0.33333345  0.75000644  1.0
  S  S8  1  0.33139092  0.33650903  0.13217730  1.0
  S  S9  1  0.66348844  0.99488174  0.13217649  1.0
  S  S10  1  0.00511696  0.66860601  0.13217719  1.0
  S  S11  1  0.33653654  0.33139199  0.86778721  1.0
  S  S12  1  0.99485482  0.66346238  0.86778763  1.0
  S  S13  1  0.66860656  0.00514500  0.86778703  1.0
  S  S14  1  0.66860200  0.66347173  0.63220911  1.0
  S  S15  1  0.33652786  0.00513117  0.63220856  1.0
  S  S16  1  0.99486848  0.33139778  0.63220930  1.0
  S  S17  1  0.66349391  0.66860571  0.36782587  1.0
  S  S18  1  0.00511354  0.33650791  0.36782629  1.0
  S  S19  1  0.33139861  0.99488934  0.36782589  1.0