data_NbCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   138.08
_cell_angle_beta   138.08
_cell_angle_gamma   60.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdGa2
_chemical_formula_sum   'Nb1 Cd1 Ga2'
_cell_volume   70.5
_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  0.68  1.0
  Cd  Cd0  1  0.0  0.94  0.34  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.94  0.0  0.34  1.0

data_NbCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   5.42
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdGa2
_chemical_formula_sum   'Nb1 Cd1 Ga2'
_cell_volume   70.5
_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  0.68  0.68  0.68  1.0
  Cd  Cd1  1  0.4  0.34  0.4  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.34  0.4  0.4  1.0

Nb Cd Ga Ga