data_NbGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.46
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeAu2
_chemical_formula_sum   'Nb1 Ge1 Au2'
_cell_volume   70.96
_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  0.29  0.0  0.69  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.74  0.23  0.06  1.0
  Au  Au1  1  0.78  0.23  0.32  1.0

data_NbGeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.46
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeAu2
_chemical_formula_sum   'Nb1 Ge1 Au2'
_cell_volume   70.96
_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  0.29  0.0  0.69  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.74  0.23  0.06  1.0
  Au  Au3  1  0.78  0.23  0.32  1.0

Nb Ge Au Au