data_CaCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.19
_cell_length_c   6.76
_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   65.25
_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  0.15  1.0
  Co  Co1  1  0.51  0.59  0.49  1.0
  Co  Co2  1  0.0  0.0  0.59  1.0
  Ge  Ge3  1  0.51  0.59  0.92  1.0

data_CaCo2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.19
_cell_length_b   3.03
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaCo2Ge
_chemical_formula_sum   'Ca1 Co2 Ge1'
_cell_volume   65.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.15  1.0
  Co  Co1  1  0.0  0.0  0.59  1.0
  Co  Co2  1  0.59  0.5  0.49  1.0
  Ge  Ge3  1  0.59  0.5  0.92  1.0

Ca Co Co Ge
Ca Co Co Ge 0 3 - - - 0 3 - o - 0 3 o - - 0 3 o o - 0 1 - - o 0 1 - o o 0 1 o - o 0 0 + o o 0 0 o + o 0 2 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o o 2 3 o o o 2 3 o - o 2 3 - o o 2 3 - - o 3 3 + o o 3 3 o + o 
CaCo2Ge crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 2-coordinate geometry to one Co(2), four equivalent Co(1), and four equivalent Ge(1) atoms. The Ca(1)-Co(2) bond length is 2.97 Å. There are a spread of Ca(1)-Co(1) bond distances ranging from 3.01-3.35 Å. There are a spread of Ca(1)-Ge(1) bond distances ranging from 2.49-2.90 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 2.08-2.55 Å. The Co(1)-Ge(1) bond length is 2.94 Å. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Ca(1), four equivalent Co(1), and two equivalent Ge(1) atoms. There is one shorter (2.99 Å) and one longer (3.02 Å) Co(2)-Ge(1) bond length. Ge(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1), one Co(1), and two equivalent Co(2) atoms.