data_MgScGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.8
_cell_angle_alpha   101.87
_cell_angle_beta   101.87
_cell_angle_gamma   43.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScGe2
_chemical_formula_sum   'Mg1 Sc1 Ge2'
_cell_volume   80.06
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.57  0.0  0.83  1.0
  Ge  Ge0  1  0.99  0.0  0.39  1.0
  Ge  Ge1  1  0.14  0.0  0.26  1.0

data_MgScGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.53
_cell_length_c   5.8
_cell_angle_alpha   101.87
_cell_angle_beta   90.0
_cell_angle_gamma   111.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScGe2
_chemical_formula_sum   'Mg1 Sc1 Ge2'
_cell_volume   80.06
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.43  0.17  1.0
  Ge  Ge2  1  0.0  0.01  0.61  1.0
  Ge  Ge3  1  0.0  0.86  0.74  1.0

Mg Sc Ge Ge
Mg Sc Ge Ge 0 3 o o o 0 1 - o - 2 3 + o o 
MgScGe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgScGe2 cluster. Mg(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Ge(2) atom. The Mg(1)-Sc(1) bond length is 2.01 Å. The Mg(1)-Ge(2) bond length is 1.51 Å. Sc(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to one Ge(2) atom. The Ge(1)-Ge(2) bond length is 1.13 Å. In the second Ge site, Ge(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Ge(1) atom.