data_[Te2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3801]
_cell_length_b [7.4349]
_cell_length_c [7.9454]
_cell_angle_alpha [117.8471]
_cell_angle_beta [94.3696]
_cell_angle_gamma [111.9646]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TeBr3]
_chemical_formula_sum '[Te2 Br6]'
_cell_volume [340.3539]
_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  2  0.1723  0.8264  0.4987  1.0
  Br  Br1  2  0.0550  0.9846  0.2617  1.0
  Br  Br2  2  0.2518  0.6908  0.7295  1.0
  Br  Br3  2  0.3819  0.6821  0.2666  1.0
]