data_LaSc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   134.36
_cell_angle_beta   134.36
_cell_angle_gamma   66.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Sn
_chemical_formula_sum   'La1 Sc2 Sn1'
_cell_volume   104.51
_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  0.3  0.48  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.3  0.0  0.48  1.0
  Sn  Sn3  1  0.0  0.0  0.95  1.0

data_LaSc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.92
_cell_angle_alpha   112.82
_cell_angle_beta   112.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Sn
_chemical_formula_sum   'La1 Sc2 Sn1'
_cell_volume   104.51
_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  0.48  0.18  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.48  0.18  0.18  1.0
  Sn  Sn3  1  0.95  0.95  0.95  1.0

La Sc Sc Sn
La Sc Sc Sn 0 1 o o o 0 3 o o - 0 2 o o o 1 3 o o - 1 2 o o o 2 3 o o - 
LaSc2Sn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaSc2Sn cluster. La(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Sc(2) atom. The La(1)-Sc(1) bond length is 2.03 Å. The La(1)-Sc(2) bond length is 1.93 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one La(1) and one Sn(1) atom. The Sc(1)-Sn(1) bond length is 0.29 Å. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to one La(1) atom. Sn(1) is bonded in a single-bond geometry to one Sc(1) atom.