data_CoNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   21.2
_cell_angle_beta   21.2
_cell_angle_gamma   21.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiGe2
_chemical_formula_sum   'Co1 Ni1 Ge2'
_cell_volume   52.49
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.3  1.0
  Ge  Ge1  1  0.0  0.0  0.67  1.0
  Ge  Ge2  1  0.0  0.0  0.92  1.0

data_CoNiGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.84
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   102.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNiGe2
_chemical_formula_sum   'Co2 Ni2 Ge4'
_cell_volume   104.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.7  1.0
  Ge  Ge2  2  0.0  0.0  0.08  1.0
  Ge  Ge3  2  0.0  0.0  0.33  1.0

Co Ni Ge Ge
Co Ni Ge Ge 0 3 o o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o - 1 2 o o o 2 3 o o o 
CoNiGe2 crystallizes in the monoclinic Cm space group. Co(1) is bonded in a single-bond geometry to one Ni(1) and one Ge(2) atom. The Co(1)-Ni(1) bond length is 2.31 Å. The Co(1)-Ge(2) bond length is 0.59 Å. Ni(1) is bonded in a 8-coordinate geometry to one Co(1), six equivalent Ni(1), and one Ge(1) atom. All Ni(1)-Ni(1) bond lengths are 2.84 Å. The Ni(1)-Ge(1) bond length is 2.89 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Ni(1), one Ge(2), and six equivalent Ge(1) atoms. The Ge(1)-Ge(2) bond length is 1.92 Å. All Ge(1)-Ge(1) bond lengths are 2.84 Å. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one Co(1) and one Ge(1) atom.