data_Ta2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Au
_chemical_formula_sum   'Ta8 Au4'
_cell_volume   226.52
_cell_formula_units_Z   4
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  Ta4  1  0.0  0.0  0.0  1.0
  Ta  Ta5  1  0.0  0.0  0.4  1.0
  Ta  Ta6  1  0.0  0.59  0.6  1.0
  Ta  Ta7  1  0.65  0.93  0.6  1.0
  Ta  Ta8  1  0.38  0.79  0.2  1.0
  Ta  Ta9  1  0.35  0.93  0.6  1.0
  Ta  Ta10  1  0.07  0.79  0.2  1.0
  Ta  Ta11  1  0.73  0.13  0.2  1.0
  Au  Au0  1  0.0  0.15  0.6  1.0
  Au  Au1  1  0.0  0.15  0.8  1.0
  Au  Au2  1  0.73  0.57  1.0  1.0
  Au  Au3  1  0.73  0.57  0.2  1.0

data_Ta2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Au
_chemical_formula_sum   'Ta8 Au4'
_cell_volume   226.52
_cell_formula_units_Z   4
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  Ta0  1  -0.0  0.59  0.6  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.4  1.0
  Ta  Ta3  1  0.07  0.79  0.2  1.0
  Ta  Ta4  1  0.35  0.93  0.6  1.0
  Ta  Ta5  1  0.38  0.79  0.2  1.0
  Ta  Ta6  1  0.65  0.93  0.6  1.0
  Ta  Ta7  1  0.73  0.13  0.2  1.0
  Au  Au8  1  -0.0  0.15  0.6  1.0
  Au  Au9  1  -0.0  0.15  0.8  1.0
  Au  Au10  1  0.73  0.57  0.2  1.0
  Au  Au11  1  0.73  0.57  1.0  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Au Au Au Au