data_NbGa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Ge
_chemical_formula_sum   'Nb1 Ga2 Ge1'
_cell_volume   70.05
_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  0.25  1.0
  Ga  Ga0  1  0.43  0.43  0.31  1.0
  Ga  Ga1  1  0.43  0.43  0.2  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_NbGa2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbGa2Ge
_chemical_formula_sum   'Nb2 Ga4 Ge2'
_cell_volume   140.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  Ga  Ga1  2  0.43  0.0  0.2  1.0
  Ga  Ga2  2  0.43  0.0  0.31  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Nb Ga Ga Ge
Nb Ga Ga Ge 0 2 - o o 0 2 o - o 0 2 o o o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 