data_TaAg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.11
_cell_angle_alpha   96.76
_cell_angle_beta   96.76
_cell_angle_gamma   32.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Au
_chemical_formula_sum   'Ta1 Ag2 Au1'
_cell_volume   70.65
_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
  Ag  Ag0  1  0.21  0.0  0.24  1.0
  Ag  Ag1  1  1.0  0.0  0.84  1.0
  Au  Au2  1  0.61  0.0  0.54  1.0

data_TaAg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.11
_cell_length_c   5.12
_cell_angle_alpha   96.76
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Au
_chemical_formula_sum   'Ta1 Ag2 Au1'
_cell_volume   70.65
_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
  Ag  Ag1  1  0.0  0.24  0.21  1.0
  Ag  Ag2  1  0.0  0.84  1.0  1.0
  Au  Au3  1  0.0  0.54  0.61  1.0

Ta Ag Ag Au