data_NbGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   4.81
_cell_angle_alpha   98.26
_cell_angle_beta   98.26
_cell_angle_gamma   31.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeAu2
_chemical_formula_sum   'Nb1 Ge1 Au2'
_cell_volume   72.31
_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  0.85  0.0  0.38  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.88  0.0  0.53  1.0
  Au  Au1  1  0.83  0.0  0.23  1.0

data_NbGeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.81
_cell_length_c   5.41
_cell_angle_alpha   98.26
_cell_angle_beta   105.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeAu2
_chemical_formula_sum   'Nb1 Ge1 Au2'
_cell_volume   72.31
_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  0.38  0.85  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.23  0.83  1.0
  Au  Au3  1  0.0  0.53  0.88  1.0

Nb Ge Au Au