data_BaVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   132.89
_cell_angle_beta   132.89
_cell_angle_gamma   68.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVAu2
_chemical_formula_sum   'Ba1 V1 Au2'
_cell_volume   92.7
_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
  Ba  Ba2  1  0.0  0.24  0.31  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.24  0.0  0.31  1.0
  Au  Au1  1  0.0  0.0  0.62  1.0

data_BaVAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.6
_cell_angle_alpha   113.55
_cell_angle_beta   113.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVAu2
_chemical_formula_sum   'Ba1 V1 Au2'
_cell_volume   92.7
_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
  Ba  Ba0  1  0.07  0.31  0.07  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.31  0.07  0.07  1.0
  Au  Au3  1  0.62  0.62  0.62  1.0

Ba V Au Au