data_Co7Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co7Ge
_chemical_formula_sum   'Co7 Ge1'
_cell_volume   89.28
_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  0.77  0.0  0.77  1.0
  Co  Co1  1  0.0  0.77  0.77  1.0
  Co  Co2  1  0.77  0.77  0.55  1.0
  Co  Co3  1  0.77  0.55  0.77  1.0
  Co  Co4  1  0.55  0.77  0.77  1.0
  Co  Co5  1  0.77  0.77  0.0  1.0
  Co  Co6  1  0.0  0.0  0.0  1.0
  Ge  Ge7  1  0.55  0.55  0.55  1.0

data_Co7Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   12.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co7Ge
_chemical_formula_sum   'Co21 Ge3'
_cell_volume   267.85
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.08  0.15  0.15  1.0
  Co  Co1  9  0.15  0.08  0.3  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Ge  Ge3  3  0.0  0.0  0.45  1.0

Co Co Co Co Co Co Co Ge
Co Co Co Co Co Co Co Ge 0 5 o - + 0 1 + - o 0 6 + o + 0 7 o o o 1 5 - o + 1 6 o + + 1 7 o o o 2 3 o o o 2 4 o o o 2 6 + + o 2 7 o o o 3 4 o o o 3 6 + o + 3 7 o o o 4 6 o + + 4 7 o o o 5 6 + + o 5 7 o o o 
Co7Ge crystallizes in the trigonal R3m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one Co(3), two equivalent Co(1), two equivalent Co(2), and one Ge(1) atom. The Co(1)-Co(3) bond length is 1.97 Å. Both Co(1)-Co(1) bond lengths are 1.14 Å. Both Co(1)-Co(2) bond lengths are 1.97 Å. The Co(1)-Ge(1) bond length is 2.27 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Co(3), two equivalent Co(1), two equivalent Co(2), and one Ge(1) atom. The Co(2)-Co(3) bond length is 2.27 Å. Both Co(2)-Co(2) bond lengths are 1.14 Å. The Co(2)-Ge(1) bond length is 1.97 Å. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Co(2) atoms. Ge(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Co(2) atoms.