data_TaSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   6.92
_cell_length_c   3.03
_cell_angle_alpha   79.87
_cell_angle_beta   75.07
_cell_angle_gamma   25.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSnAu
_chemical_formula_sum   'Ta1 Sn1 Au1'
_cell_volume   59.87
_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  0.92  0.35  0.49  1.0
  Sn  Sn1  1  0.92  0.35  0.92  1.0
  Au  Au0  1  0.92  0.35  0.17  1.0

data_TaSnAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   13.29
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   129.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSnAu
_chemical_formula_sum   'Ta2 Sn2 Au2'
_cell_volume   119.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.24  0.0  0.59  1.0
  Sn  Sn1  2  0.31  0.5  0.15  1.0
  Au  Au2  2  0.07  0.5  0.91  1.0

Ta Sn Au