data_LaMgSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgSc2
_chemical_formula_sum   'La1 Mg1 Sc2'
_cell_volume   106.31
_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  0.69  0.69  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.0  0.69  0.83  1.0
  Sc  Sc3  1  0.69  0.0  0.83  1.0

data_LaMgSc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMgSc2
_chemical_formula_sum   'La2 Mg2 Sc4'
_cell_volume   212.62
_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
  La  La0  2  0.19  0.5  0.0  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Sc  Sc2  4  0.35  0.35  0.83  1.0

La Mg Sc Sc
MgLaSc2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgLaSc2 clusters. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent Sc(1) atoms. Both Mg(1)-Sc(1) bond lengths are 1.77 Å. La(1) is bonded in an L-shaped geometry to two equivalent Sc(1) atoms. Both La(1)-Sc(1) bond lengths are 1.77 Å. Sc(1) is bonded in a distorted L-shaped geometry to one Mg(1) and one La(1) atom.