data_Nd(CuGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   139.11
_cell_angle_beta   139.11
_cell_angle_gamma   59.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(CuGe)2
_chemical_formula_sum   'Nd1 Cu2 Ge2'
_cell_volume   88.78
_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  Nd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.07  0.0  0.58  1.0
  Cu  Cu2  1  0.0  0.07  0.58  1.0
  Ge  Ge3  1  0.0  0.0  0.42  1.0
  Ge  Ge4  1  0.0  0.0  0.9  1.0

data_Nd(CuGe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   119.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nd(CuGe)2
_chemical_formula_sum   'Nd2 Cu4 Ge4'
_cell_volume   177.55
_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  0.0  1.0
  Cu  Cu1  4  0.04  0.46  0.51  1.0
  Ge  Ge2  2  0.4  0.5  0.9  1.0
  Ge  Ge3  2  0.42  0.0  0.42  1.0

Nd Cu Cu Ge Ge