data_NbGa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.71
_cell_angle_alpha   93.62
_cell_angle_beta   93.62
_cell_angle_gamma   31.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Ge
_chemical_formula_sum   'Nb1 Ga2 Ge1'
_cell_volume   68.1
_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  0.89  0.0  0.35  1.0
  Ga  Ga0  1  0.22  0.0  0.49  1.0
  Ga  Ga1  1  0.56  0.0  0.21  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_NbGa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.71
_cell_length_c   5.25
_cell_angle_alpha   93.62
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Ge
_chemical_formula_sum   'Nb1 Ga2 Ge1'
_cell_volume   68.1
_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  0.35  0.89  1.0
  Ga  Ga1  1  0.0  0.21  0.56  1.0
  Ga  Ga2  1  0.0  0.49  0.22  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Nb Ga Ga Ge