data_ScCu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   119.54
_cell_angle_beta   119.54
_cell_angle_gamma   90.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu2Sn
_chemical_formula_sum   'Sc1 Cu2 Sn1'
_cell_volume   67.04
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.29  0.6  1.0
  Cu  Cu1  1  0.29  0.0  0.6  1.0
  Sn  Sn3  1  0.0  0.0  0.19  1.0

data_ScCu2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.48
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   134.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCu2Sn
_chemical_formula_sum   'Sc2 Cu4 Sn2'
_cell_volume   134.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.35  0.35  0.4  1.0
  Sn  Sn2  2  0.0  0.0  0.81  1.0

Sc Cu Cu Sn
Sc Cu Cu Sn 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
ScCu2Sn crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a single-bond geometry to four equivalent Cu(1) and one Sn(1) atom. There are two shorter (2.74 Å) and two longer (2.82 Å) Sc(1)-Cu(1) bond lengths. The Sc(1)-Sn(1) bond length is 0.88 Å. Cu(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Cu(1), and one Sn(1) atom. The Cu(1)-Cu(1) bond length is 1.88 Å. The Cu(1)-Sn(1) bond length is 1.65 Å. Sn(1) is bonded in a single-bond geometry to one Sc(1) and two equivalent Cu(1) atoms.