data_TaCdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   133.12
_cell_angle_beta   133.12
_cell_angle_gamma   68.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdPt2
_chemical_formula_sum   'Ta1 Cd1 Pt2'
_cell_volume   67.94
_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  0.01  0.09  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.01  0.0  0.09  1.0
  Pt  Pt2  1  0.0  0.0  0.19  1.0

data_TaCdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   5.06
_cell_angle_alpha   113.44
_cell_angle_beta   113.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdPt2
_chemical_formula_sum   'Ta1 Cd1 Pt2'
_cell_volume   67.94
_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  0.08  0.09  0.08  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.09  0.08  0.08  1.0
  Pt  Pt3  1  0.19  0.19  0.19  1.0

Ta Cd Pt Pt
Ta Cd Pt Pt 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 