data_[Te4Br4]
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 [Cm]
_cell_length_a [15.3609]
_cell_length_b [4.1153]
_cell_length_c [5.1881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TeBr]
_chemical_formula_sum '[Te4 Br4]'
_cell_volume [327.4489]
_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  2  0.2334  0.5000  0.5283  1.0
  Te  Te1  2  0.3169  0.0000  0.8498  1.0
  Br  Br2  2  0.1518  0.0000  0.1748  1.0
  Br  Br3  2  0.4650  0.0000  0.6410  1.0
]