data_Ta2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.79
_cell_angle_alpha   103.09
_cell_angle_beta   103.09
_cell_angle_gamma   36.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdSe
_chemical_formula_sum   'Ta2 Pd1 Se1'
_cell_volume   68.35
_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  Ta2  1  0.32  0.0  0.33  1.0
  Ta  Ta3  1  0.83  0.0  0.45  1.0
  Pd  Pd0  1  0.23  0.0  0.06  1.0
  Se  Se1  1  0.49  0.0  0.8  1.0

data_Ta2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.79
_cell_length_c   4.99
_cell_angle_alpha   103.09
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdSe
_chemical_formula_sum   'Ta2 Pd1 Se1'
_cell_volume   68.35
_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  0.0  0.33  0.32  1.0
  Ta  Ta1  1  0.0  0.45  0.83  1.0
  Pd  Pd2  1  0.0  0.06  0.23  1.0
  Se  Se3  1  0.0  0.8  0.49  1.0

Ta Ta Pd Se