data_Ho2NiGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   10.87
_cell_length_c   10.87
_cell_angle_alpha   21.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2NiGe6
_chemical_formula_sum   'Ho2 Ni1 Ge6'
_cell_volume   172.42
_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
  Ho  Ho6  1  0.03  0.0  0.05  1.0
  Ho  Ho7  1  0.03  0.0  0.25  1.0
  Ni  Ni8  1  0.0  0.0  0.71  1.0
  Ge  Ge0  1  0.0  0.0  0.25  1.0
  Ge  Ge1  1  0.03  0.0  0.01  1.0
  Ge  Ge2  1  0.0  0.0  0.77  1.0
  Ge  Ge3  1  0.03  0.0  0.51  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.0  0.0  0.92  1.0

data_Ho2NiGe6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.05
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2NiGe6
_chemical_formula_sum   'Ho2 Ni1 Ge6'
_cell_volume   172.42
_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
  Ho  Ho0  1  0.75  0.03  0.75  1.0
  Ho  Ho1  1  0.95  0.03  0.95  1.0
  Ni  Ni2  1  0.29  0.0  0.29  1.0
  Ge  Ge3  1  0.08  0.0  0.08  1.0
  Ge  Ge4  1  0.23  0.0  0.23  1.0
  Ge  Ge5  1  0.49  0.03  0.49  1.0
  Ge  Ge6  1  0.75  0.0  0.75  1.0
  Ge  Ge7  1  0.99  0.03  0.99  1.0
  Ge  Ge8  1  1.0  0.0  1.0  1.0

Ho Ho Ni Ge Ge Ge Ge Ge Ge
Ho Ho Ni Ge Ge Ge Ge Ge Ge 0 7 o o o 0 4 o o o 1 3 o o o 1 6 o o o 2 5 o o o 2 6 o o o 3 6 o o o 4 7 o o o 4 8 o o - 7 8 o o - 