data_NdCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97
_cell_length_b   8.97
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCuGe2
_chemical_formula_sum   'Nd2 Cu2 Ge4'
_cell_volume   157.17
_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  0.14  0.1  0.17  1.0
  Nd  Nd7  1  0.14  0.9  0.06  1.0
  Cu  Cu0  1  0.14  0.05  0.06  1.0
  Cu  Cu1  1  0.14  0.95  0.17  1.0
  Ge  Ge2  1  0.14  0.68  0.06  1.0
  Ge  Ge3  1  0.14  0.62  0.06  1.0
  Ge  Ge4  1  0.14  0.38  0.17  1.0
  Ge  Ge5  1  0.14  0.32  0.17  1.0

data_NdCuGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.22
_cell_length_b   4.27
_cell_length_c   8.97
_cell_angle_alpha   103.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdCuGe2
_chemical_formula_sum   'Nd2 Cu2 Ge4'
_cell_volume   157.17
_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  0.06  0.9  0.9  1.0
  Cu  Cu1  2  0.06  0.05  0.05  1.0
  Ge  Ge2  2  0.06  0.62  0.62  1.0
  Ge  Ge3  2  0.06  0.68  0.68  1.0

Nd Nd Cu Cu Ge Ge Ge Ge