data_CdTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.71
_cell_angle_alpha   101.89
_cell_angle_beta   101.89
_cell_angle_gamma   43.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePt2
_chemical_formula_sum   'Cd1 Te1 Pt2'
_cell_volume   79.03
_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  0.0  1.0
  Te  Te3  1  0.6  0.0  0.78  1.0
  Pt  Pt1  1  0.13  0.0  0.2  1.0
  Pt  Pt2  1  0.08  0.0  0.37  1.0

data_CdTePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.56
_cell_length_c   5.71
_cell_angle_alpha   101.89
_cell_angle_beta   90.0
_cell_angle_gamma   111.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTePt2
_chemical_formula_sum   'Cd1 Te1 Pt2'
_cell_volume   79.03
_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  0.0  1.0
  Te  Te1  1  0.0  0.4  0.22  1.0
  Pt  Pt2  1  0.0  0.87  0.8  1.0
  Pt  Pt3  1  0.0  0.92  0.63  1.0

Cd Te Pt Pt