data_Cd5Te4S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.92
_cell_length_b   18.92
_cell_length_c   18.92
_cell_angle_alpha   13.96
_cell_angle_beta   13.96
_cell_angle_gamma   13.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Te4S
_chemical_formula_sum   'Cd5 Te4 S1'
_cell_volume   342.78
_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  0.28  1.0
  Cd  Cd1  1  0.0  0.0  0.2  1.0
  Cd  Cd2  1  0.0  0.0  0.83  1.0
  Cd  Cd3  1  0.0  0.0  0.24  1.0
  Cd  Cd4  1  0.0  0.0  0.86  1.0
  Te  Te5  1  0.0  0.0  0.07  1.0
  Te  Te6  1  0.0  0.0  0.69  1.0
  Te  Te7  1  0.0  0.0  0.1  1.0
  Te  Te8  1  0.0  0.0  0.71  1.0
  S  S9  1  0.0  0.0  0.85  1.0

data_Cd5Te4S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.96
_cell_length_b   4.6
_cell_length_c   18.92
_cell_angle_alpha   90.0
_cell_angle_beta   98.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd5Te4S
_chemical_formula_sum   'Cd10 Te8 S2'
_cell_volume   685.57
_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
  Cd  Cd0  2  0.0  0.0  0.14  1.0
  Cd  Cd1  2  0.0  0.0  0.17  1.0
  Cd  Cd2  2  0.0  0.0  0.72  1.0
  Cd  Cd3  2  0.0  0.0  0.76  1.0
  Cd  Cd4  2  0.0  0.0  0.8  1.0
  Te  Te5  2  0.0  0.0  0.29  1.0
  Te  Te6  2  0.0  0.0  0.31  1.0
  Te  Te7  2  0.0  0.0  0.9  1.0
  Te  Te8  2  0.0  0.0  0.93  1.0
  S  S9  2  0.0  0.0  0.15  1.0

Cd Cd Cd Cd Cd Te Te Te Te S