data_Sc2BeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.04
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeCl
_chemical_formula_sum   'Sc2 Be1 Cl1'
_cell_volume   71.56
_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  0.69  0.02  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.62  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.69  0.02  0.62  1.0

data_Sc2BeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.04
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeCl
_chemical_formula_sum   'Sc2 Be1 Cl1'
_cell_volume   71.56
_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  Sc0  1  0.0  0.0  0.62  1.0
  Sc  Sc1  1  0.69  0.02  -0.0  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.69  0.02  0.62  1.0

Sc Sc Be Cl
Sc Sc Be Cl 0 2 + o o 1 3 - o o 
BeSc2Cl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeSc2Cl cluster. Be(1) is bonded in a distorted single-bond geometry to one Sc(1) atom. The Be(1)-Sc(1) bond length is 1.04 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted L-shaped geometry to one Be(1) and one Cl(1) atom. The Sc(1)-Cl(1) bond length is 2.01 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Sc(2)-Cl(1) bond length is 1.04 Å. Cl(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Sc(2) atom.