data_NbReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.7
_cell_angle_alpha   100.77
_cell_angle_beta   100.77
_cell_angle_gamma   33.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReAu2
_chemical_formula_sum   'Nb1 Re1 Au2'
_cell_volume   68.13
_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
  Re  Re3  1  0.46  0.0  0.3  1.0
  Au  Au0  1  0.19  0.0  0.16  1.0
  Au  Au1  1  0.73  0.0  0.44  1.0

data_NbReAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.7
_cell_length_c   5.15
_cell_angle_alpha   100.77
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReAu2
_chemical_formula_sum   'Nb1 Re1 Au2'
_cell_volume   68.13
_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
  Re  Re1  1  0.0  0.3  0.46  1.0
  Au  Au2  1  0.0  0.16  0.19  1.0
  Au  Au3  1  0.0  0.44  0.73  1.0

Nb Re Au Au
Nb Re Au Au 0 2 o o o 1 2 o o o 1 3 o o o 