data_TaCdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.36
_cell_angle_alpha   98.29
_cell_angle_beta   98.29
_cell_angle_gamma   34.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdPt2
_chemical_formula_sum   'Ta1 Cd1 Pt2'
_cell_volume   69.28
_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  0.16  0.0  0.65  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.65  0.0  0.88  1.0
  Pt  Pt2  1  0.66  0.0  0.42  1.0

data_TaCdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.78
_cell_length_c   5.36
_cell_angle_alpha   98.29
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdPt2
_chemical_formula_sum   'Ta1 Cd1 Pt2'
_cell_volume   69.28
_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  0.84  0.35  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.34  0.58  1.0
  Pt  Pt3  1  0.0  0.35  0.12  1.0

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