[CIF]
data_Ba4NbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07626953
_cell_length_b   7.07626953
_cell_length_c   7.07626953
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4NbAu
_chemical_formula_sum   'Ba4 Nb1 Au1'
_cell_volume   250.55213147
_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
  Au  Au0  1  2.50183908  2.50183908  2.50183908  1
  Ba  Ba1  1  3.75586431  3.75586431  6.25149203  1
  Ba  Ba2  1  3.75586431  6.25149203  3.75586431  1
  Ba  Ba3  1  6.25149203  3.75586431  3.75586431  1
  Ba  Ba4  1  6.25149203  6.25149203  6.25149203  1
  Nb  Nb5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
