data_Ta3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Au
_chemical_formula_sum   'Ta6 Au2'
_cell_volume   143.94
_cell_formula_units_Z   2
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
  Ta  Ta2  1  0.59  0.98  0.58  1.0
  Ta  Ta3  1  0.12  0.42  0.58  1.0
  Ta  Ta4  1  0.59  0.02  0.19  1.0
  Ta  Ta5  1  0.64  0.98  0.58  1.0
  Ta  Ta6  1  0.12  0.58  0.19  1.0
  Ta  Ta7  1  0.64  0.02  0.19  1.0
  Au  Au0  1  0.12  0.5  0.19  1.0
  Au  Au1  1  0.12  0.5  0.58  1.0

data_Ta3Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.78
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   114.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta3Au
_chemical_formula_sum   'Ta6 Au2'
_cell_volume   143.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ta  Ta0  2  0.19  0.0  0.42  1.0
  Ta  Ta1  2  0.19  0.48  0.98  1.0
  Ta  Ta2  2  0.19  0.52  0.98  1.0
  Au  Au3  2  0.19  0.0  0.5  1.0

Ta Ta Ta Ta Ta Ta Au Au
Ta Ta Ta Ta Ta Ta Au Au 0 3 o o o 1 7 o o o 2 5 o o o 4 6 o o o 