data_NbCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   2.97
_cell_angle_alpha   95.1
_cell_angle_beta   95.1
_cell_angle_gamma   120.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Ge
_chemical_formula_sum   'Nb1 Cd2 Ge1'
_cell_volume   78.38
_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  0.77  0.0  0.0  1.0
  Cd  Cd0  1  0.12  0.58  0.46  1.0
  Cd  Cd1  1  0.12  0.42  0.46  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_NbCd2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.54
_cell_length_c   5.57
_cell_angle_alpha   60.17
_cell_angle_beta   84.9
_cell_angle_gamma   79.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Ge
_chemical_formula_sum   'Nb1 Cd2 Ge1'
_cell_volume   78.38
_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  0.0  0.77  1.0
  Cd  Cd1  1  0.54  0.42  0.7  1.0
  Cd  Cd2  1  0.54  0.58  0.54  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Nb Cd Cd Ge