# generated using pymatgen
data_BaPaPdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19300361
_cell_length_b   7.19300456
_cell_length_c   10.26593686
_cell_angle_alpha   89.99158244
_cell_angle_beta   90.00841666
_cell_angle_gamma   147.40732860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPaPdS3
_chemical_formula_sum   'Ba2 Pa2 Pd2 S6'
_cell_volume   286.11219074
_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
  Ba  Ba0  1  0.74636647  0.25363553  0.25002364  1.0
  Ba  Ba1  1  0.25363553  0.74636647  0.74997636  1.0
  Pa  Pa2  1  0.00000000  0.00000000  0.00000000  1.0
  Pa  Pa3  1  0.00000000  0.00000000  0.50000000  1.0
  Pd  Pd4  1  0.46551005  0.53449295  0.25001148  1.0
  Pd  Pd5  1  0.53449295  0.46551005  0.74998852  1.0
  S  S6  1  0.36614442  0.63385758  0.05352549  1.0
  S  S7  1  0.07078189  0.92922111  0.25001320  1.0
  S  S8  1  0.36614462  0.63385738  0.44652358  1.0
  S  S9  1  0.63385738  0.36614462  0.55347642  1.0
  S  S10  1  0.92922111  0.07078189  0.74998680  1.0
  S  S11  1  0.63385758  0.36614442  0.94647451  1.0