data_Ta2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.02
_cell_angle_alpha   99.52
_cell_angle_beta   99.52
_cell_angle_gamma   33.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PtAu
_chemical_formula_sum   'Ta2 Pt1 Au1'
_cell_volume   69.05
_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
  Ta  Ta2  1  0.01  0.0  0.21  1.0
  Ta  Ta3  1  0.79  0.0  0.73  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.4  0.0  0.47  1.0

data_Ta2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.02
_cell_length_c   5.05
_cell_angle_alpha   99.52
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PtAu
_chemical_formula_sum   'Ta2 Pt1 Au1'
_cell_volume   69.05
_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
  Ta  Ta0  1  0.0  0.21  0.01  1.0
  Ta  Ta1  1  0.0  0.73  0.79  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.47  0.4  1.0

Ta Ta Pt Au