data_CrGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   14.59
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGe3
_chemical_formula_sum   'Cr6 Ge18'
_cell_volume   413.65
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.81  0.3  0.91  1.0
  Cr  Cr1  1  0.81  0.47  0.39  1.0
  Cr  Cr2  1  0.81  0.12  0.39  1.0
  Cr  Cr3  1  0.0  0.0  0.13  1.0
  Cr  Cr4  1  0.0  0.77  0.65  1.0
  Cr  Cr5  1  0.0  0.83  0.65  1.0
  Ge  Ge6  1  0.41  0.48  0.83  1.0
  Ge  Ge7  1  0.41  0.11  0.83  1.0
  Ge  Ge8  1  0.42  0.3  0.53  1.0
  Ge  Ge9  1  0.4  0.0  0.51  1.0
  Ge  Ge10  1  0.4  0.78  0.21  1.0
  Ge  Ge11  1  0.4  0.82  0.21  1.0
  Ge  Ge12  1  0.81  0.0  0.78  1.0
  Ge  Ge13  1  0.81  0.7  0.7  1.0
  Ge  Ge14  1  0.81  0.89  0.7  1.0
  Ge  Ge15  1  0.21  0.48  0.83  1.0
  Ge  Ge16  1  0.21  0.11  0.83  1.0
  Ge  Ge17  1  0.21  0.3  0.53  1.0
  Ge  Ge18  1  0.23  0.0  0.51  1.0
  Ge  Ge19  1  0.22  0.78  0.21  1.0
  Ge  Ge20  1  0.22  0.82  0.21  1.0
  Ge  Ge21  1  0.0  0.3  0.26  1.0
  Ge  Ge22  1  0.0  0.4  0.34  1.0
  Ge  Ge23  1  0.0  0.19  0.34  1.0

data_CrGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.62
_cell_length_c   14.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGe3
_chemical_formula_sum   'Cr6 Ge18'
_cell_volume   413.65
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.13  0.0  0.0  1.0
  Cr  Cr1  1  0.39  0.81  0.12  1.0
  Cr  Cr2  1  0.39  0.81  0.47  1.0
  Cr  Cr3  1  0.65  0.0  0.77  1.0
  Cr  Cr4  1  0.65  0.0  0.83  1.0
  Cr  Cr5  1  0.91  0.81  0.3  1.0
  Ge  Ge6  1  0.21  0.22  0.78  1.0
  Ge  Ge7  1  0.21  0.22  0.82  1.0
  Ge  Ge8  1  0.21  0.4  0.78  1.0
  Ge  Ge9  1  0.21  0.4  0.82  1.0
  Ge  Ge10  1  0.26  0.0  0.3  1.0
  Ge  Ge11  1  0.34  0.0  0.19  1.0
  Ge  Ge12  1  0.34  0.0  0.4  1.0
  Ge  Ge13  1  0.51  0.23  0.0  1.0
  Ge  Ge14  1  0.51  0.4  0.0  1.0
  Ge  Ge15  1  0.53  0.21  0.3  1.0
  Ge  Ge16  1  0.53  0.42  0.3  1.0
  Ge  Ge17  1  0.7  0.81  0.7  1.0
  Ge  Ge18  1  0.7  0.81  0.89  1.0
  Ge  Ge19  1  0.78  0.81  0.0  1.0
  Ge  Ge20  1  0.83  0.21  0.11  1.0
  Ge  Ge21  1  0.83  0.21  0.48  1.0
  Ge  Ge22  1  0.83  0.41  0.11  1.0
  Ge  Ge23  1  0.83  0.41  0.48  1.0

Cr Cr Cr Cr Cr Cr Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge
Cr Cr Cr Cr Cr Cr Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge 0 21 + o + 1 22 + o o 2 23 + o o 2 3 + o o 3 12 - o - 3 16 o o - 3 18 o o o 4 5 o o o 4 13 - o o 5 14 - o o 6 15 o o o 7 16 o o o 8 17 o o o 9 18 o o o 10 11 o o o 12 14 o - o 17 21 o o o 19 20 o o o 21 23 o o o 21 22 o o o 