data_NbCdGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   138.78
_cell_angle_beta   138.78
_cell_angle_gamma   59.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdGe2
_chemical_formula_sum   'Nb1 Cd1 Ge2'
_cell_volume   72.49
_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  0.79  1.0
  Cd  Cd0  1  0.0  0.94  0.4  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.94  0.0  0.4  1.0

data_NbCdGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.52
_cell_angle_alpha   110.61
_cell_angle_beta   110.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdGe2
_chemical_formula_sum   'Nb1 Cd1 Ge2'
_cell_volume   72.49
_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  Nb0  1  0.79  0.79  0.79  1.0
  Cd  Cd1  1  0.45  0.4  0.45  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.4  0.45  0.45  1.0

Nb Cd Ge Ge