data_TaPdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08
_cell_length_b   8.08
_cell_length_c   8.08
_cell_angle_alpha   23.74
_cell_angle_beta   23.74
_cell_angle_gamma   23.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPdSe2
_chemical_formula_sum   'Ta1 Pd1 Se2'
_cell_volume   75.04
_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  Ta3  1  0.0  0.0  0.77  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.71  1.0
  Se  Se2  1  0.0  0.0  0.83  1.0

data_TaPdSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.32
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaPdSe2
_chemical_formula_sum   'Ta2 Pd2 Se4'
_cell_volume   150.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.23  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.17  1.0
  Se  Se3  2  0.0  0.0  0.29  1.0

Ta Pd Se Se