data_SmCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCuSn
_chemical_formula_sum   'Sm2 Cu2 Sn2'
_cell_volume   137.33
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Sm  Sm1  1  0.0  0.0  0.82  1.0
  Cu  Cu2  1  0.28  0.31  0.74  1.0
  Cu  Cu3  1  0.0  0.63  0.91  1.0
  Sn  Sn4  1  0.28  0.31  0.91  1.0
  Sn  Sn5  1  0.0  0.63  0.74  1.0

data_SmCuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCuSn
_chemical_formula_sum   'Sm2 Cu2 Sn2'
_cell_volume   137.33
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Sm  Sm1  1  0.0  0.0  0.82  1.0
  Cu  Cu2  1  0.0  0.63  0.91  1.0
  Cu  Cu3  1  0.28  0.31  0.74  1.0
  Sn  Sn4  1  0.0  0.63  0.74  1.0
  Sn  Sn5  1  0.28  0.31  0.91  1.0

Sm Sm Cu Cu Sn Sn
Sm Sm Cu Cu Sn Sn 0 4 o o - 0 1 o o - 1 2 o o o 1 4 o o o 2 4 o o o 3 5 o o o 
SmCuSn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SmCuSn cluster. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 3-coordinate geometry to one Sm(2), one Cu(2), and one Sn(1) atom. The Sm(1)-Sm(2) bond length is 1.34 Å. The Sm(1)-Cu(2) bond length is 1.82 Å. The Sm(1)-Sn(1) bond length is 1.51 Å. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to one Sm(1), one Cu(1), one Cu(2), one Sn(1), and one Sn(2) atom. The Sm(2)-Cu(1) bond length is 1.51 Å. The Sm(2)-Cu(2) bond length is 1.82 Å. The Sm(2)-Sn(1) bond length is 1.51 Å. The Sm(2)-Sn(2) bond length is 1.82 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one Sm(2) and one Sn(1) atom. The Cu(1)-Sn(1) bond length is 1.34 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(2), and one Sn(2) atom. The Cu(2)-Sn(2) bond length is 1.34 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(2), and one Cu(1) atom. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Sm(2) and one Cu(2) atom.