data_CoGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe3
_chemical_formula_sum   'Co2 Ge6'
_cell_volume   128.81
_cell_formula_units_Z   2
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  0.81  0.62  0.53  1.0
  Co  Co1  1  0.0  0.24  0.18  1.0
  Ge  Ge2  1  0.0  0.71  0.53  1.0
  Ge  Ge3  1  0.67  0.01  0.53  1.0
  Ge  Ge4  1  0.33  0.01  0.53  1.0
  Ge  Ge5  1  0.48  0.85  0.18  1.0
  Ge  Ge6  1  0.14  0.85  0.18  1.0
  Ge  Ge7  1  0.81  0.16  0.18  1.0

data_CoGe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.71
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoGe3
_chemical_formula_sum   'Co2 Ge6'
_cell_volume   128.81
_cell_formula_units_Z   2
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
  Co  Co0  2  0.18  0.4  0.19  1.0
  Ge  Ge1  2  0.18  0.27  0.58  1.0
  Ge  Ge2  2  0.18  0.6  0.28  1.0
  Ge  Ge3  2  0.18  0.92  0.58  1.0

Co Co Ge Ge Ge Ge Ge Ge
Co Co Ge Ge Ge Ge Ge Ge 0 2 + o o 1 7 - o o 2 4 o + o 2 6 o o o 3 5 o - o 3 4 o o o 3 7 o o o 4 6 o - o 5 6 o o o 5 7 o + o 