data_TaIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.47
_cell_angle_alpha   104.73
_cell_angle_beta   104.73
_cell_angle_gamma   33.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Au
_chemical_formula_sum   'Ta1 In2 Au1'
_cell_volume   81.35
_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
  In  In1  1  0.27  0.0  0.3  1.0
  In  In2  1  0.38  0.0  0.97  1.0
  Au  Au0  1  0.32  0.0  0.63  1.0

data_TaIn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.28
_cell_length_c   5.47
_cell_angle_alpha   104.73
_cell_angle_beta   90.0
_cell_angle_gamma   106.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Au
_chemical_formula_sum   'Ta1 In2 Au1'
_cell_volume   81.35
_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
  In  In1  1  0.0  0.62  0.03  1.0
  In  In2  1  0.0  0.73  0.7  1.0
  Au  Au3  1  0.0  0.68  0.37  1.0

Ta In In Au