data_[Te12Cl8]
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 [P2_1/c]
_cell_length_a [7.5525]
_cell_length_b [8.7409]
_cell_length_c [12.1605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Te3Cl2]
_chemical_formula_sum '[Te12 Cl8]'
_cell_volume [690.6608]
_cell_formula_units_Z [4]
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  0.0051  0.2451  0.4085  1.0
  Te  Te1  4  0.2989  0.1489  0.8391  1.0
  Te  Te2  4  0.3016  0.6582  0.3550  1.0
  Cl  Cl3  4  0.2154  0.5148  0.6695  1.0
  Cl  Cl4  4  0.2277  0.0063  0.4787  1.0
]