data_Cd2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PbSe
_chemical_formula_sum   'Cd2 Pb1 Se1'
_cell_volume   106.52
_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  0.48  0.14  0.1  1.0
  Cd  Cd1  1  0.48  0.86  0.1  1.0
  Pb  Pb2  1  0.96  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cd2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   110.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PbSe
_chemical_formula_sum   'Cd2 Pb1 Se1'
_cell_volume   106.52
_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  0.1  0.48  0.86  1.0
  Cd  Cd1  1  0.1  0.48  0.14  1.0
  Pb  Pb2  1  -0.0  0.96  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cd Cd Pb Se