data_NdGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdGe3
_chemical_formula_sum   'Nd2 Ge6'
_cell_volume   172.21
_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
  Nd  Nd6  1  0.13  0.81  0.81  1.0
  Nd  Nd7  1  0.0  0.61  0.27  1.0
  Ge  Ge0  1  0.89  0.79  0.27  1.0
  Ge  Ge1  1  0.37  0.79  0.27  1.0
  Ge  Ge2  1  0.13  0.84  0.27  1.0
  Ge  Ge3  1  0.24  0.63  0.81  1.0
  Ge  Ge4  1  0.76  0.63  0.81  1.0
  Ge  Ge5  1  0.0  0.58  0.81  1.0

data_NdGe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.08
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdGe3
_chemical_formula_sum   'Nd2 Ge6'
_cell_volume   172.21
_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
  Nd  Nd0  2  0.23  0.94  0.4  1.0
  Ge  Ge1  2  0.23  0.06  0.63  1.0
  Ge  Ge2  2  0.23  0.3  0.58  1.0
  Ge  Ge3  2  0.23  0.83  0.58  1.0

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