data_NdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   51.34
_cell_angle_beta   51.34
_cell_angle_gamma   51.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdGe
_chemical_formula_sum   'Nd1 Ge1'
_cell_volume   53.46
_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
  Nd  Nd1  1  0.0  0.0  0.93  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_NdGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   3.95
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   120.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NdGe
_chemical_formula_sum   'Nd2 Ge2'
_cell_volume   106.92
_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
  Nd  Nd0  2  0.0  0.0  0.93  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0

Nd Ge
Nd Ge 0 1 o o + 