data_Ta2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16
_cell_length_b   10.16
_cell_length_c   10.16
_cell_angle_alpha   16.58
_cell_angle_beta   16.58
_cell_angle_gamma   16.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdAu
_chemical_formula_sum   'Ta2 Cd1 Au1'
_cell_volume   74.46
_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  0.0  0.0  0.64  1.0
  Ta  Ta3  1  0.0  0.0  0.42  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0

data_Ta2CdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.93
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CdAu
_chemical_formula_sum   'Ta4 Cd2 Au2'
_cell_volume   148.93
_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  0.0  0.0  0.36  1.0
  Ta  Ta1  2  0.0  0.0  0.58  1.0
  Cd  Cd2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.97  1.0

Ta Ta Cd Au
Ta Ta Cd Au 0 1 o o o 2 3 o o o 