data_NbGa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.17
_cell_angle_alpha   99.38
_cell_angle_beta   99.38
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Ge
_chemical_formula_sum   'Nb1 Ga2 Ge1'
_cell_volume   75.73
_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  0.83  0.0  0.82  1.0
  Ga  Ga0  1  0.08  0.0  0.09  1.0
  Ga  Ga1  1  0.25  0.0  0.27  1.0
  Ge  Ge2  1  0.54  0.0  0.55  1.0

data_NbGa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.17
_cell_length_c   5.2
_cell_angle_alpha   99.38
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Ge
_chemical_formula_sum   'Nb1 Ga2 Ge1'
_cell_volume   75.73
_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  0.82  0.83  1.0
  Ga  Ga1  1  0.0  0.09  0.08  1.0
  Ga  Ga2  1  0.0  0.27  0.25  1.0
  Ge  Ge3  1  0.0  0.55  0.54  1.0

Nb Ga Ga Ge