data_NbPAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPAu2
_chemical_formula_sum   'Nb1 P1 Au2'
_cell_volume   69.87
_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  0.64  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.32  0.31  0.44  1.0
  Au  Au1  1  0.32  0.69  0.44  1.0

data_NbPAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.27
_cell_length_c   5.31
_cell_angle_alpha   119.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPAu2
_chemical_formula_sum   'Nb1 P1 Au2'
_cell_volume   69.87
_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  0.64  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.44  0.31  0.63  1.0
  Au  Au3  1  0.44  0.69  0.01  1.0

Nb P Au Au