data_Mg2TaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   5.04
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaGe
_chemical_formula_sum   'Mg2 Ta1 Ge1'
_cell_volume   74.47
_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  0.09  0.52  0.29  1.0
  Mg  Mg2  1  0.86  0.52  0.86  1.0
  Ta  Ta3  1  0.98  0.0  0.58  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Mg2TaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.04
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaGe
_chemical_formula_sum   'Mg2 Ta1 Ge1'
_cell_volume   74.47
_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  0.09  0.52  0.29  1.0
  Mg  Mg1  1  0.86  0.52  0.86  1.0
  Ta  Ta2  1  0.98  0.0  0.58  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Mg Mg Ta Ge
Mg Mg Ta Ge 0 3 o o o 0 3 o + o 0 2 - o o 0 2 - + o 0 1 - o - 0 0 + o o 1 1 + o o 1 3 + o + 1 3 + + + 1 2 o + o 1 2 o o o 2 2 + o o 2 3 + o o 2 3 + o + 3 3 + o o 
Mg2TaGe crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Ta(1), and two equivalent Ge(1) atoms. The Mg(1)-Mg(2) bond length is 2.25 Å. Both Mg(1)-Mg(1) bond lengths are 2.87 Å. There is one shorter (2.89 Å) and one longer (3.06 Å) Mg(1)-Ta(1) bond length. There is one shorter (2.85 Å) and one longer (3.02 Å) Mg(1)-Ge(1) bond length. In the second Mg site, Mg(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ge(1) atoms. There is one shorter (2.54 Å) and one longer (2.73 Å) Mg(2)-Ge(1) bond length. Ta(1) is bonded in a distorted single-bond geometry to two equivalent Mg(1) and two equivalent Ge(1) atoms. There is one shorter (2.21 Å) and one longer (3.03 Å) Ta(1)-Ge(1) bond length. Ge(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Ta(1), and two equivalent Ge(1) atoms. Both Ge(1)-Ge(1) bond lengths are 2.87 Å.