data_Nb2CdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.37
_cell_angle_alpha   104.25
_cell_angle_beta   104.25
_cell_angle_gamma   32.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdGe
_chemical_formula_sum   'Nb2 Cd1 Ge1'
_cell_volume   74.17
_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  Nb2  1  0.61  0.0  0.93  1.0
  Nb  Nb3  1  0.99  0.0  0.26  1.0
  Cd  Cd0  1  0.3  0.0  0.6  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_Nb2CdGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.19
_cell_length_c   5.37
_cell_angle_alpha   104.25
_cell_angle_beta   90.0
_cell_angle_gamma   106.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdGe
_chemical_formula_sum   'Nb2 Cd1 Ge1'
_cell_volume   74.17
_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  0.0  0.01  0.74  1.0
  Nb  Nb1  1  0.0  0.39  0.07  1.0
  Cd  Cd2  1  0.0  0.7  0.4  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Nb Nb Cd Ge
Nb Nb Cd Ge 0 2 o o o 0 3 + o + 0 1 o o + 1 3 + o o 1 2 + o o 