data_[Te8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7589]
_cell_length_b [4.0809]
_cell_length_c [11.7546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TeCl]
_chemical_formula_sum '[Te8 Cl8]'
_cell_volume [560.6599]
_cell_formula_units_Z [8]
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  4  0.1129  0.0000  0.8204  1.0
  Te  Te1  4  0.2352  0.0000  0.1585  1.0
  Cl  Cl2  4  0.0141  0.5000  0.1769  1.0
  Cl  Cl3  4  0.1743  0.5000  0.5863  1.0
]