data_NbGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.27
_cell_angle_alpha   109.71
_cell_angle_beta   109.71
_cell_angle_gamma   32.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeAu2
_chemical_formula_sum   'Nb1 Ge1 Au2'
_cell_volume   71.32
_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  0.17  0.0  0.36  1.0
  Ge  Ge2  1  0.84  0.0  0.84  1.0
  Au  Au0  1  0.93  0.0  0.21  1.0
  Au  Au1  1  0.23  0.0  0.99  1.0

data_NbGeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.19
_cell_length_c   5.27
_cell_angle_alpha   109.71
_cell_angle_beta   90.0
_cell_angle_gamma   106.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeAu2
_chemical_formula_sum   'Nb1 Ge1 Au2'
_cell_volume   71.32
_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  0.83  0.64  1.0
  Ge  Ge1  1  0.0  0.16  0.16  1.0
  Au  Au2  1  0.0  0.07  0.79  1.0
  Au  Au3  1  0.0  0.77  0.01  1.0

Nb Ge Au Au