data_CdAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   4.73
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgTe2
_chemical_formula_sum   'Cd1 Ag1 Te2'
_cell_volume   118.57
_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  Cd1  1  0.39  0.37  0.81  1.0
  Ag  Ag0  1  0.17  0.0  0.95  1.0
  Te  Te2  1  0.38  0.0  0.46  1.0
  Te  Te3  1  0.18  0.37  0.39  1.0

data_CdAgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.73
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgTe2
_chemical_formula_sum   'Cd1 Ag1 Te2'
_cell_volume   118.57
_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  0.39  0.37  0.81  1.0
  Ag  Ag1  1  0.17  0.0  0.95  1.0
  Te  Te2  1  0.18  0.37  0.39  1.0
  Te  Te3  1  0.38  0.0  0.46  1.0

Cd Ag Te Te
Cd Ag Te Te 0 1 o o o 2 3 o o o 