data_CdBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   5.31
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiTe2
_chemical_formula_sum   'Cd1 Bi1 Te2'
_cell_volume   114.33
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.89  0.65  0.0  1.0
  Te  Te2  1  0.0  0.65  0.86  1.0
  Te  Te3  1  0.89  0.0  0.86  1.0

data_CdBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.31
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiTe2
_chemical_formula_sum   'Cd1 Bi1 Te2'
_cell_volume   114.33
_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
  Bi  Bi1  1  0.89  0.65  -0.0  1.0
  Te  Te2  1  -0.0  0.65  0.86  1.0
  Te  Te3  1  0.89  0.0  0.86  1.0

Cd Bi Te Te
Cd Bi Te Te 0 3 - o - 1 2 + o - 