data_CdBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   143.44
_cell_angle_beta   138.21
_cell_angle_gamma   56.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiTe2
_chemical_formula_sum   'Cd1 Bi1 Te2'
_cell_volume   128.35
_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  0.0  0.0  0.06  1.0
  Te  Te2  1  0.16  0.0  0.1  1.0
  Te  Te3  1  0.0  0.45  0.96  1.0

data_CdBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.91
_cell_length_c   6.88
_cell_angle_alpha   110.89
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiTe2
_chemical_formula_sum   'Cd1 Bi1 Te2'
_cell_volume   128.35
_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  0.94  0.94  0.94  1.0
  Te  Te2  1  0.04  0.5  0.5  1.0
  Te  Te3  1  0.06  0.9  0.06  1.0

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