data_NbCdGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42
_cell_length_b   10.42
_cell_length_c   10.42
_cell_angle_alpha   16.31
_cell_angle_beta   16.31
_cell_angle_gamma   16.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdGe2
_chemical_formula_sum   'Nb1 Cd1 Ge2'
_cell_volume   77.85
_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
  Nb  Nb3  1  0.0  0.0  0.55  1.0
  Cd  Cd0  1  0.0  0.0  0.23  1.0
  Ge  Ge1  1  0.0  0.0  0.8  1.0
  Ge  Ge2  1  0.0  0.0  0.54  1.0

data_NbCdGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   2.96
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   99.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCdGe2
_chemical_formula_sum   'Nb2 Cd2 Ge4'
_cell_volume   155.69
_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
  Nb  Nb0  2  0.0  0.0  0.45  1.0
  Cd  Cd1  2  0.0  0.0  0.77  1.0
  Ge  Ge2  2  0.0  0.0  0.2  1.0
  Ge  Ge3  2  0.0  0.0  0.46  1.0

Nb Cd Ge Ge