data_TaSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   137.25
_cell_angle_beta   137.25
_cell_angle_gamma   62.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Au
_chemical_formula_sum   'Ta1 Sn2 Au1'
_cell_volume   81.7
_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  0.83  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.06  0.0  0.42  1.0
  Au  Au0  1  0.0  0.06  0.42  1.0

data_TaSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.64
_cell_angle_alpha   111.38
_cell_angle_beta   111.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Au
_chemical_formula_sum   'Ta1 Sn2 Au1'
_cell_volume   81.7
_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  0.17  0.0  0.17  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.58  0.0  0.64  1.0
  Au  Au3  1  0.64  0.06  0.64  1.0

Ta Sn Sn Au