# generated using pymatgen
data_Ta2PdSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39966808
_cell_length_b   6.78533514
_cell_length_c   9.73160804
_cell_angle_alpha   79.02047961
_cell_angle_beta   79.94046113
_cell_angle_gamma   75.49195630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdSe6
_chemical_formula_sum   'Ta2 Pd1 Se6'
_cell_volume   211.43893290
_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  0.68082332  0.93022891  0.70812646  1.0
  Ta  Ta1  1  0.31917668  0.06977109  0.29187354  1.0
  Pd  Pd2  1  -0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.21285695  0.70378552  0.87049857  1.0
  Se  Se4  1  0.78714305  0.29621448  0.12950143  1.0
  Se  Se5  1  0.66290520  0.21071217  0.46347544  1.0
  Se  Se6  1  0.01293662  0.21042955  0.76369722  1.0
  Se  Se7  1  0.98706338  0.78957045  0.23630278  1.0
  Se  Se8  1  0.33709480  0.78928783  0.53652456  1.0