data_Ti2CdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   147.59
_cell_angle_beta   128.73
_cell_angle_gamma   61.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdPd
_chemical_formula_sum   'Ti2 Cd1 Pd1'
_cell_volume   69.83
_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
  Ti  Ti2  1  0.0  0.39  0.66  1.0
  Ti  Ti3  1  0.0  0.0  0.26  1.0
  Cd  Cd0  1  0.0  0.39  0.09  1.0
  Pd  Pd1  1  0.0  0.0  0.19  1.0

data_Ti2CdPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.78
_cell_length_c   5.52
_cell_angle_alpha   115.64
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdPd
_chemical_formula_sum   'Ti2 Cd1 Pd1'
_cell_volume   69.83
_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
  Ti  Ti0  1  0.34  0.73  0.73  1.0
  Ti  Ti1  1  0.74  0.74  0.74  1.0
  Cd  Cd2  1  0.91  0.3  0.3  1.0
  Pd  Pd3  1  0.81  0.81  0.81  1.0

Ti Ti Cd Pd