data_LaPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.36
_cell_angle_alpha   114.23
_cell_angle_beta   114.23
_cell_angle_gamma   53.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd2Se
_chemical_formula_sum   'La1 Pd2 Se1'
_cell_volume   84.76
_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
  La  La0  1  0.18  0.0  0.6  1.0
  Pd  Pd1  1  0.0  0.0  0.35  1.0
  Pd  Pd2  1  0.74  0.0  0.36  1.0
  Se  Se3  1  0.99  0.0  0.83  1.0

data_LaPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.71
_cell_length_c   5.36
_cell_angle_alpha   114.23
_cell_angle_beta   90.0
_cell_angle_gamma   116.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd2Se
_chemical_formula_sum   'La1 Pd2 Se1'
_cell_volume   84.76
_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
  La  La0  1  0.0  0.82  0.4  1.0
  Pd  Pd1  1  0.0  0.26  0.64  1.0
  Pd  Pd2  1  0.0  1.0  0.65  1.0
  Se  Se3  1  0.0  0.01  0.17  1.0

La Pd Pd Se
LaPd2Se crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaPd2Se cluster. La(1) is bonded in a distorted bent 120 degrees geometry to one Pd(1), one Pd(2), and one Se(1) atom. The La(1)-Pd(1) bond length is 1.26 Å. The La(1)-Pd(2) bond length is 1.94 Å. The La(1)-Se(1) bond length is 1.74 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one La(1) and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 1.28 Å. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one La(1), one Pd(1), and one Se(1) atom. The Pd(2)-Se(1) bond length is 2.29 Å. Se(1) is bonded in a distorted single-bond geometry to one La(1) and one Pd(2) atom.