data_ZrTa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Ge
_chemical_formula_sum   'Zr1 Ta2 Ge1'
_cell_volume   75.04
_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
  Zr  Zr3  1  0.0  0.0  0.48  1.0
  Ta  Ta1  1  0.74  0.0  0.04  1.0
  Ta  Ta2  1  0.74  0.0  0.92  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_ZrTa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Ge
_chemical_formula_sum   'Zr1 Ta2 Ge1'
_cell_volume   75.04
_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
  Zr  Zr0  1  0.0  0.0  0.48  1.0
  Ta  Ta1  1  0.74  0.0  0.04  1.0
  Ta  Ta2  1  0.74  0.0  0.92  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Zr Ta Ta Ge
Zr Ta Ta Ge 0 0 + + o 0 0 o + o 0 0 + o o 1 3 + o o 1 2 o o - 2 3 + o + 
ZrTa2Ge crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 8-coordinate geometry to six equivalent Zr(1), one Ta(1), and one Ta(2) atom. There are four shorter (2.97 Å) and two longer (3.48 Å) Zr(1)-Zr(1) bond lengths. The Zr(1)-Ta(1) bond length is 4.03 Å. The Zr(1)-Ta(2) bond length is 4.03 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Ge(1) atom. The Ta(1)-Ge(1) bond length is 0.87 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Zr(1) and one Ge(1) atom. The Ta(2)-Ge(1) bond length is 1.03 Å. Ge(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom.