data_[Te2Br4]
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 [P1]
_cell_length_a [6.0915]
_cell_length_b [6.9704]
_cell_length_c [7.7297]
_cell_angle_alpha [114.6325]
_cell_angle_beta [104.5083]
_cell_angle_gamma [94.6913]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TeBr2]
_chemical_formula_sum '[Te2 Br4]'
_cell_volume [282.2824]
_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  0.3254  0.2267  0.3160  1.0
  Te  Te1  1  0.5707  0.3812  0.1241  1.0
  Br  Br2  1  0.1031  0.1211  0.9086  1.0
  Br  Br3  1  0.4341  0.8495  0.2287  1.0
  Br  Br4  1  0.6068  0.4212  0.6821  1.0
  Br  Br5  1  0.9636  0.5885  0.4059  1.0
]