data_ZrGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2As
_chemical_formula_sum   'Zr1 Ge2 As1'
_cell_volume   77.53
_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  0.08  1.0
  Ge  Ge1  1  0.91  0.0  0.05  1.0
  Ge  Ge2  1  0.91  0.0  0.12  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_ZrGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2As
_chemical_formula_sum   'Zr1 Ge2 As1'
_cell_volume   77.53
_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  0.08  1.0
  Ge  Ge1  1  0.91  0.0  0.05  1.0
  Ge  Ge2  1  0.91  0.0  0.12  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Ge Ge As
ZrGe2As crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrGe2As cluster. Zr(1) is bonded in a distorted single-bond geometry to one Ge(1), one Ge(2), and one As(1) atom. The Zr(1)-Ge(1) bond length is 0.38 Å. The Zr(1)-Ge(2) bond length is 0.38 Å. The Zr(1)-As(1) bond length is 0.69 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one Zr(1) and one As(1) atom. The Ge(1)-As(1) bond length is 0.51 Å. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one Zr(1) atom. As(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Ge(1) atom.