data_CrGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGe5
_chemical_formula_sum   'Cr1 Ge5'
_cell_volume   104.77
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.48  0.48  0.39  1.0
  Ge  Ge2  1  0.48  0.48  0.6  1.0
  Ge  Ge3  1  0.0  0.0  0.13  1.0
  Ge  Ge4  1  0.0  0.0  0.86  1.0
  Ge  Ge5  1  0.48  0.48  0.99  1.0

data_CrGe5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrGe5
_chemical_formula_sum   'Cr2 Ge10'
_cell_volume   209.55
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.13  1.0
  Ge  Ge2  2  0.0  0.0  0.86  1.0
  Ge  Ge3  2  0.48  0.0  0.39  1.0
  Ge  Ge4  2  0.48  0.0  0.6  1.0
  Ge  Ge5  2  0.48  0.0  0.99  1.0

Cr Ge Ge Ge Ge Ge
Cr Ge Ge Ge Ge Ge 0 4 o o - 0 3 o o o 0 5 o o - 0 5 o - - 0 5 - o - 0 5 - - - 1 1 + o o 1 1 o + o 1 2 o o o 2 2 + o o 2 2 o + o 