data_Cd2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   5.77
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeSe
_chemical_formula_sum   'Cd2 Te1 Se1'
_cell_volume   104.16
_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  0.81  0.0  0.21  1.0
  Cd  Cd1  1  0.18  0.89  0.93  1.0
  Te  Te3  1  0.3  0.89  0.76  1.0
  Se  Se2  1  0.37  0.0  0.78  1.0

data_Cd2TeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.47
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeSe
_chemical_formula_sum   'Cd2 Te1 Se1'
_cell_volume   104.16
_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  0.19  0.79  0.0  1.0
  Cd  Cd1  1  0.82  0.07  0.11  1.0
  Te  Te2  1  0.7  0.24  0.11  1.0
  Se  Se3  1  0.63  0.22  0.0  1.0

Cd Cd Te Se