data_AlCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.33
_cell_length_b   11.33
_cell_length_c   11.33
_cell_angle_alpha   16.01
_cell_angle_beta   16.01
_cell_angle_gamma   16.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Te
_chemical_formula_sum   'Al1 Cd2 Te1'
_cell_volume   96.45
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.83  1.0
  Cd  Cd2  1  0.0  0.0  0.72  1.0
  Te  Te3  1  0.0  0.0  0.78  1.0

data_AlCd2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   3.16
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   99.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCd2Te
_chemical_formula_sum   'Al2 Cd4 Te2'
_cell_volume   192.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.17  1.0
  Cd  Cd2  2  0.0  0.0  0.28  1.0
  Te  Te3  2  0.0  0.0  0.22  1.0

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