data_HoGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65
_cell_length_b   10.65
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoGe3
_chemical_formula_sum   'Ho2 Ge6'
_cell_volume   166.1
_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
  Ho  Ho0  1  0.01  0.73  0.96  1.0
  Ho  Ho1  1  0.01  0.27  0.99  1.0
  Ge  Ge2  1  0.01  0.54  0.96  1.0
  Ge  Ge3  1  0.01  0.46  0.99  1.0
  Ge  Ge4  1  0.01  0.04  0.96  1.0
  Ge  Ge5  1  0.01  0.96  0.99  1.0
  Ge  Ge6  1  0.01  0.83  0.96  1.0
  Ge  Ge7  1  0.01  0.17  0.99  1.0

data_HoGe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.94
_cell_length_b   4.03
_cell_length_c   10.65
_cell_angle_alpha   100.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoGe3
_chemical_formula_sum   'Ho2 Ge6'
_cell_volume   166.1
_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
  Ho  Ho0  2  0.49  0.27  0.27  1.0
  Ge  Ge1  2  0.49  0.17  0.17  1.0
  Ge  Ge2  2  0.49  0.46  0.46  1.0
  Ge  Ge3  2  0.49  0.96  0.96  1.0

Ho Ho Ge Ge Ge Ge Ge Ge
Ho Ho Ge Ge Ge Ge Ge Ge 0 6 o o o 1 7 o o o 2 3 o o o 4 5 o - o 