data_Cd2BTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   143.21
_cell_angle_beta   110.5
_cell_angle_gamma   81.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BTe
_chemical_formula_sum   'Cd2 B1 Te1'
_cell_volume   94.4
_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  0.76  0.0  0.62  1.0
  Cd  Cd2  1  0.0  0.18  0.6  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.23  1.0

data_Cd2BTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   69.5
_cell_angle_beta   71.61
_cell_angle_gamma   71.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BTe
_chemical_formula_sum   'Cd2 B1 Te1'
_cell_volume   94.4
_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  0.6  0.0  0.57  1.0
  Cd  Cd1  1  0.86  0.76  0.38  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.23  -0.0  0.77  1.0

Cd Cd B Te