data_TaSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   137.16
_cell_angle_beta   125.27
_cell_angle_gamma   71.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2Au
_chemical_formula_sum   'Ta1 Sb2 Au1'
_cell_volume   84.05
_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
  Sb  Sb1  1  0.96  0.0  0.26  1.0
  Sb  Sb2  1  0.0  0.47  0.08  1.0
  Au  Au0  1  0.0  0.0  0.35  1.0

data_TaSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.93
_cell_length_c   5.37
_cell_angle_alpha   117.36
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2Au
_chemical_formula_sum   'Ta1 Sb2 Au1'
_cell_volume   84.05
_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
  Sb  Sb1  1  0.7  0.74  0.7  1.0
  Sb  Sb2  1  0.92  0.39  0.39  1.0
  Au  Au3  1  0.65  0.65  0.65  1.0

Ta Sb Sb Au
Ta Sb Sb Au 0 1 - o o 0 3 o o o 0 2 o o o 1 3 + o o 1 2 + - o 2 3 o + o 