data_Cd2Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   5.48
_cell_length_c   8.4
_cell_angle_alpha   60.32
_cell_angle_beta   39.97
_cell_angle_gamma   79.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Pt3
_chemical_formula_sum   'Cd4 Pt6'
_cell_volume   177.89
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.67  0.63  0.07  1.0
  Cd  Cd1  1  0.88  0.19  0.07  1.0
  Cd  Cd2  1  0.28  0.73  0.41  1.0
  Cd  Cd3  1  0.27  0.09  0.41  1.0
  Pt  Pt4  1  0.2  0.41  0.27  1.0
  Pt  Pt5  1  0.36  0.41  0.27  1.0
  Pt  Pt6  1  0.58  0.87  0.62  1.0
  Pt  Pt7  1  0.74  0.86  0.62  1.0
  Pt  Pt8  1  0.78  0.91  0.1  1.0
  Pt  Pt9  1  0.39  0.45  0.45  1.0

data_Cd2Pt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.48
_cell_length_c   7.42
_cell_angle_alpha   79.71
_cell_angle_beta   68.69
_cell_angle_gamma   60.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Pt3
_chemical_formula_sum   'Cd4 Pt6'
_cell_volume   177.89
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.14  0.75  0.05  1.0
  Cd  Cd1  1  0.37  0.3  0.27  1.0
  Cd  Cd2  1  0.43  0.85  0.31  1.0
  Cd  Cd3  1  0.77  0.5  0.32  1.0
  Pt  Pt4  1  0.04  0.31  0.37  1.0
  Pt  Pt5  1  0.07  0.51  0.79  1.0
  Pt  Pt6  1  0.23  0.52  0.64  1.0
  Pt  Pt7  1  0.29  0.1  0.16  1.0
  Pt  Pt8  1  0.79  0.99  0.12  1.0
  Pt  Pt9  1  0.88  0.32  0.53  1.0

Cd Cd Cd Cd Pt Pt Pt Pt Pt Pt
Cd Cd Cd Cd Pt Pt Pt Pt Pt Pt 0 5 o o o 0 9 o o o 1 8 o - o 2 9 o o o 3 5 o o o 4 5 o o o 5 9 o o o 6 7 o o o 