data_NbTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.64
_cell_angle_alpha   101.06
_cell_angle_beta   101.06
_cell_angle_gamma   34.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTeAu2
_chemical_formula_sum   'Nb1 Te1 Au2'
_cell_volume   80.66
_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  Nb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.85  0.0  0.27  1.0
  Au  Au0  1  0.53  0.0  0.06  1.0
  Au  Au1  1  0.16  0.0  0.49  1.0

data_NbTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.64
_cell_length_c   5.57
_cell_angle_alpha   101.06
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTeAu2
_chemical_formula_sum   'Nb1 Te1 Au2'
_cell_volume   80.66
_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  0.0  0.0  1.0
  Te  Te1  1  0.0  0.27  0.85  1.0
  Au  Au2  1  0.0  0.06  0.53  1.0
  Au  Au3  1  0.0  0.49  0.16  1.0

Nb Te Au Au