data_Nb2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2PtAu
_chemical_formula_sum   'Nb2 Pt1 Au1'
_cell_volume   69.58
_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  Nb1  1  0.0  0.0  0.44  1.0
  Nb  Nb2  1  0.43  0.43  0.24  1.0
  Pt  Pt3  1  0.0  0.0  0.17  1.0
  Au  Au0  1  0.43  0.43  0.32  1.0

data_Nb2PtAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2PtAu
_chemical_formula_sum   'Nb4 Pt2 Au2'
_cell_volume   139.16
_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  0.0  0.0  0.44  1.0
  Nb  Nb1  2  0.43  0.0  0.24  1.0
  Pt  Pt2  2  0.0  0.0  0.17  1.0
  Au  Au3  2  0.43  0.0  0.32  1.0

Nb Nb Pt Au
Nb Nb Pt Au 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 2 3 - o o 2 3 o - o 2 3 o o o 