data_CdTePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePt
_chemical_formula_sum   'Cd1 Te1 Pt1'
_cell_volume   69.58
_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  0.25  1.0
  Te  Te2  1  0.0  0.55  0.34  1.0
  Pt  Pt1  1  0.21  0.28  0.53  1.0

data_CdTePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePt
_chemical_formula_sum   'Cd1 Te1 Pt1'
_cell_volume   69.58
_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  0.25  0.0  0.0  1.0
  Te  Te1  1  0.34  -0.0  0.55  1.0
  Pt  Pt2  1  0.53  0.21  0.28  1.0

Cd Te Pt
Cd Te Pt 0 2 o o o 0 1 o - o 1 2 o o o 