data_TeC2S2(N2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   10.14
_cell_angle_alpha   119.58
_cell_angle_beta   119.58
_cell_angle_gamma   50.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeC2S2(N2Cl)2
_chemical_formula_sum   'Te2 C4 S4 N8 Cl4'
_cell_volume   552.08
_cell_formula_units_Z   2
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
  Te  Te0  1  0.92  0.92  0.12  1.0
  Te  Te1  1  0.16  0.08  0.37  1.0
  C  C2  1  0.82  0.92  0.77  1.0
  C  C3  1  0.5  0.92  0.97  1.0
  C  C4  1  0.26  0.08  0.72  1.0
  C  C5  1  0.58  0.08  0.53  1.0
  S  S6  1  0.84  0.12  0.06  1.0
  S  S7  1  0.01  0.12  0.19  1.0
  S  S8  1  0.24  0.88  0.44  1.0
  S  S9  1  0.07  0.88  0.3  1.0
  N  N10  1  0.04  0.51  0.92  1.0
  N  N11  1  0.27  0.51  0.82  1.0
  N  N12  1  0.04  0.49  0.58  1.0
  N  N13  1  0.8  0.49  0.67  1.0
  N  N14  1  0.95  0.27  0.67  1.0
  N  N15  1  0.36  0.27  0.07  1.0
  N  N16  1  0.13  0.73  0.82  1.0
  N  N17  1  0.72  0.73  0.42  1.0
  Cl  Cl18  1  0.22  0.25  0.52  1.0
  Cl  Cl19  1  0.63  0.25  0.73  1.0
  Cl  Cl20  1  0.86  0.75  0.97  1.0
  Cl  Cl21  1  0.45  0.75  0.77  1.0

data_TeC2S2(N2Cl)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.83
_cell_length_b   9.18
_cell_length_c   9.76
_cell_angle_alpha   64.64
_cell_angle_beta   66.35
_cell_angle_gamma   64.77
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeC2S2(N2Cl)2
_chemical_formula_sum   'Te2 C4 S4 N8 Cl4'
_cell_volume   552.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Te  Te0  2  0.08  0.43  0.88  1.0
  C  C1  2  0.08  0.67  0.53  1.0
  C  C2  2  0.08  0.16  0.72  1.0
  S  S3  2  0.12  0.36  0.06  1.0
  S  S4  2  0.12  0.4  0.19  1.0
  N  N5  2  0.27  0.75  0.58  1.0
  N  N6  2  0.27  0.73  0.18  1.0
  N  N7  2  0.49  0.34  0.67  1.0
  N  N8  2  0.49  0.67  0.58  1.0
  Cl  Cl9  2  0.25  0.14  0.52  1.0
  Cl  Cl10  2  0.25  0.34  0.73  1.0

Te Te C C C C S S S S N N N N N N N N Cl Cl Cl Cl