data_CaCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2Ge
_chemical_formula_sum   'Ca1 Co2 Ge1'
_cell_volume   64.87
_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
  Ca  Ca0  1  0.0  0.0  0.17  1.0
  Co  Co1  1  0.55  0.55  0.49  1.0
  Co  Co2  1  0.0  0.0  0.59  1.0
  Ge  Ge3  1  0.55  0.55  0.94  1.0

data_CaCo2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCo2Ge
_chemical_formula_sum   'Ca2 Co4 Ge2'
_cell_volume   129.74
_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
  Ca  Ca0  2  0.0  0.0  0.17  1.0
  Co  Co1  2  0.0  0.0  0.59  1.0
  Co  Co2  2  0.05  0.5  0.49  1.0
  Ge  Ge3  2  0.05  0.5  0.94  1.0

Ca Co Co Ge
CaCo2Ge crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 9-coordinate geometry to one Co(2), four equivalent Co(1), and four equivalent Ge(1) atoms. The Ca(1)-Co(2) bond length is 2.90 Å. There are a spread of Ca(1)-Co(1) bond distances ranging from 2.95-3.23 Å. There are a spread of Ca(1)-Ge(1) bond distances ranging from 2.53-2.85 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), four equivalent Co(2), and one Ge(1) atom. There are a spread of Co(1)-Co(2) bond distances ranging from 2.11-2.49 Å. The Co(1)-Ge(1) bond length is 3.04 Å. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Ca(1), four equivalent Co(1), and three equivalent Ge(1) atoms. There is one shorter (3.06 Å) and two longer (3.20 Å) Co(2)-Ge(1) bond lengths. Ge(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1), one Co(1), and three equivalent Co(2) atoms.