data_CdBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   134.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBTe2
_chemical_formula_sum   'Cd1 B1 Te2'
_cell_volume   118.96
_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  0.41  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.68  0.0  0.18  1.0
  Te  Te3  1  0.68  0.0  0.65  1.0

data_CdBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.35
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBTe2
_chemical_formula_sum   'Cd1 B1 Te2'
_cell_volume   118.96
_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  0.41  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.68  0.18  1.0
  Te  Te3  1  0.0  0.68  0.65  1.0

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