data_[Te4Cl2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2346]
_cell_length_b [7.6774]
_cell_length_c [7.7792]
_cell_angle_alpha [97.2251]
_cell_angle_beta [112.6041]
_cell_angle_gamma [112.4583]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Te2ClO4]
_chemical_formula_sum '[Te4 Cl2 O8]'
_cell_volume [301.0326]
_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  0.0864  0.2425  0.4888  1
  Te  Te1  1  0.2425  0.8749  0.6566  1
  Te  Te2  1  0.7734  0.3985  0.0574  1
  Te  Te3  1  0.8134  0.4181  0.6770  1
  Cl  Cl4  1  0.4465  0.9659  0.0198  1
  Cl  Cl5  1  0.9935  0.8218  0.2819  1
  O  O6  1  0.0636  0.4049  0.2595  1
  O  O7  1  0.1467  0.0800  0.6886  1
  O  O8  1  0.1674  0.4482  0.7194  1
  O  O9  1  0.4767  0.4102  0.5897  1
  O  O10  1  0.7066  0.2185  0.4453  1
  O  O11  1  0.7218  0.2154  0.8159  1
  O  O12  1  0.9038  0.6639  0.6033  1
  O  O13  1  0.9577  0.5871  0.9467  1
]