# generated using pymatgen
data_Ta6PdS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78784217
_cell_length_b   5.78784186
_cell_length_c   12.83274231
_cell_angle_alpha   85.66412559
_cell_angle_beta   85.66412627
_cell_angle_gamma   119.99276140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6PdS12
_chemical_formula_sum   'Ta6 Pd1 S12'
_cell_volume   368.03903994
_cell_formula_units_Z   1
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  0.08190730  0.08190730  0.75407727  1.0
  Ta  Ta1  1  0.41448327  0.74780695  0.75685507  1.0
  Ta  Ta2  1  0.74780695  0.41448327  0.75685507  1.0
  Ta  Ta3  1  0.25219305  0.58551673  0.24314493  1.0
  Ta  Ta4  1  0.58551673  0.25219305  0.24314493  1.0
  Ta  Ta5  1  0.91809270  0.91809270  0.24592273  1.0
  Pd  Pd6  1  0.00000000  0.00000000  0.00000000  1.0
  S  S7  1  0.29819036  0.29819036  0.12202039  1.0
  S  S8  1  0.62073846  0.95941324  0.12202795  1.0
  S  S9  1  0.95941324  0.62073846  0.12202795  1.0
  S  S10  1  0.04058676  0.37926154  0.87797205  1.0
  S  S11  1  0.37926154  0.04058676  0.87797205  1.0
  S  S12  1  0.70180964  0.70180964  0.87797961  1.0
  S  S13  1  0.21127736  0.21127736  0.36640800  1.0
  S  S14  1  0.54406419  0.87758842  0.36637134  1.0
  S  S15  1  0.87758842  0.54406419  0.36637134  1.0
  S  S16  1  0.12241158  0.45593581  0.63362866  1.0
  S  S17  1  0.45593581  0.12241158  0.63362866  1.0
  S  S18  1  0.78872264  0.78872264  0.63359200  1.0