data_TaIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   133.52
_cell_angle_beta   133.52
_cell_angle_gamma   67.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIr2Au
_chemical_formula_sum   'Ta1 Ir2 Au1'
_cell_volume   63.73
_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  Ta3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.13  1.0
  Ir  Ir2  1  0.96  0.0  0.07  1.0
  Au  Au0  1  0.0  0.96  0.07  1.0

data_TaIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.98
_cell_angle_alpha   113.24
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIr2Au
_chemical_formula_sum   'Ta1 Ir2 Au1'
_cell_volume   63.73
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.87  0.0  0.87  1.0
  Ir  Ir2  1  0.93  0.0  0.9  1.0
  Au  Au3  1  0.9  0.96  0.9  1.0

Ta Ir Ir Au