data_Cd2Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.6
_cell_length_b   11.6
_cell_length_c   11.6
_cell_angle_alpha   14.54
_cell_angle_beta   14.54
_cell_angle_gamma   14.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Pt3
_chemical_formula_sum   'Cd2 Pt3'
_cell_volume   85.59
_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
  Cd  Cd0  1  0.0  0.0  0.8  1.0
  Cd  Cd1  1  0.0  0.0  0.62  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.87  1.0
  Pt  Pt4  1  0.0  0.0  0.55  1.0

data_Cd2Pt3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   2.94
_cell_length_c   11.6
_cell_angle_alpha   90.0
_cell_angle_beta   98.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2Pt3
_chemical_formula_sum   'Cd4 Pt6'
_cell_volume   171.19
_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
  Cd  Cd0  2  0.0  0.0  0.2  1.0
  Cd  Cd1  2  0.0  0.0  0.38  1.0
  Pt  Pt2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.13  1.0
  Pt  Pt4  2  0.0  0.0  0.45  1.0

Cd Cd Pt Pt Pt
Cd Cd Pt Pt Pt 0 3 o o o 1 4 o o o 2 3 o o - 