data_TaSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.51
_cell_angle_alpha   100.81
_cell_angle_beta   100.81
_cell_angle_gamma   35.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Au
_chemical_formula_sum   'Ta1 Sn2 Au1'
_cell_volume   83.38
_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
  Sn  Sn1  1  0.66  0.0  0.11  1.0
  Sn  Sn2  1  0.05  0.0  0.29  1.0
  Au  Au0  1  0.35  0.0  0.7  1.0

data_TaSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.14
_cell_length_c   5.51
_cell_angle_alpha   100.81
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Au
_chemical_formula_sum   'Ta1 Sn2 Au1'
_cell_volume   83.38
_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
  Sn  Sn1  1  0.0  0.34  0.89  1.0
  Sn  Sn2  1  0.0  0.95  0.71  1.0
  Au  Au3  1  0.0  0.65  0.3  1.0

Ta Sn Sn Au