data_Ta2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   141.47
_cell_angle_beta   126.35
_cell_angle_gamma   67.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdSe
_chemical_formula_sum   'Ta2 Pd1 Se1'
_cell_volume   68.62
_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  0.0  0.34  0.28  1.0
  Ta  Ta3  1  0.71  0.0  0.01  1.0
  Pd  Pd0  1  0.0  0.0  0.29  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Ta2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.68
_cell_length_c   5.18
_cell_angle_alpha   116.83
_cell_angle_beta   109.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdSe
_chemical_formula_sum   'Ta2 Pd1 Se1'
_cell_volume   68.62
_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  0.01  0.3  1.0
  Ta  Ta1  1  0.66  0.94  0.94  1.0
  Pd  Pd2  1  0.0  0.29  0.29  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Ta Pd Se