data_CdAg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.07
_cell_angle_alpha   99.45
_cell_angle_beta   99.45
_cell_angle_gamma   40.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Te
_chemical_formula_sum   'Cd1 Ag2 Te1'
_cell_volume   92.45
_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  Cd2  1  0.05  0.0  0.3  1.0
  Ag  Ag0  1  0.02  0.0  0.76  1.0
  Ag  Ag1  1  0.49  0.0  0.55  1.0
  Te  Te3  1  0.57  0.0  0.32  1.0

data_CdAg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.86
_cell_length_c   6.07
_cell_angle_alpha   99.45
_cell_angle_beta   90.0
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Te
_chemical_formula_sum   'Cd1 Ag2 Te1'
_cell_volume   92.45
_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  0.95  0.7  1.0
  Ag  Ag1  1  0.0  0.51  0.45  1.0
  Ag  Ag2  1  0.0  0.98  0.24  1.0
  Te  Te3  1  0.0  0.43  0.68  1.0

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