data_MgZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.84
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Ge
_chemical_formula_sum   'Mg1 Zn2 Ge1'
_cell_volume   71.86
_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  Mg1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.68  0.42  0.79  1.0
  Zn  Zn3  1  0.14  0.42  0.22  1.0
  Ge  Ge0  1  0.41  0.0  0.5  1.0

data_MgZn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.84
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Ge
_chemical_formula_sum   'Mg1 Zn2 Ge1'
_cell_volume   71.86
_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
  Zn  Zn1  1  0.14  0.42  0.22  1.0
  Zn  Zn2  1  0.68  0.42  0.79  1.0
  Ge  Ge3  1  0.41  0.0  0.5  1.0

Mg Zn Zn Ge
MgZn2Ge crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Zn(2), three equivalent Zn(1), and four equivalent Ge(1) atoms. Both Mg(1)-Mg(1) bond lengths are 2.97 Å. There is one shorter (2.34 Å) and one longer (3.03 Å) Mg(1)-Zn(2) bond length. There are a spread of Mg(1)-Zn(1) bond distances ranging from 2.48-3.14 Å. There are a spread of Mg(1)-Ge(1) bond distances ranging from 2.75-3.10 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to three equivalent Mg(1) and one Ge(1) atom. The Zn(1)-Ge(1) bond length is 2.60 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and one Ge(1) atom. The Zn(2)-Ge(1) bond length is 2.60 Å. Ge(1) is bonded in a 6-coordinate geometry to four equivalent Mg(1), one Zn(1), and one Zn(2) atom.