data_NbAsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.11
_cell_length_c   2.92
_cell_angle_alpha   79.8
_cell_angle_beta   76.66
_cell_angle_gamma   23.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAsAu
_chemical_formula_sum   'Nb1 As1 Au1'
_cell_volume   57.7
_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  0.92  0.2  0.6  1.0
  As  As0  1  0.92  0.2  0.39  1.0
  Au  Au1  1  0.92  0.2  0.39  1.0

data_NbAsAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.83
_cell_length_b   13.69
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   131.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAsAu
_chemical_formula_sum   'Nb2 As2 Au2'
_cell_volume   115.39
_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  0.1  0.5  0.51  1.0
  As  As1  2  0.39  0.0  0.31  1.0
  Au  Au2  2  0.39  0.0  0.3  1.0
