data_Te2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   8.47
_cell_angle_alpha   104.17
_cell_angle_beta   104.17
_cell_angle_gamma   35.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Br
_chemical_formula_sum   'Te4 Br2'
_cell_volume   222.2
_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  Te2  1  0.32  0.0  0.4  1.0
  Te  Te3  1  0.11  0.0  0.2  1.0
  Te  Te4  1  0.36  0.0  0.27  1.0
  Te  Te5  1  0.02  0.0  0.52  1.0
  Br  Br0  1  0.78  0.0  0.38  1.0
  Br  Br1  1  0.52  0.0  0.14  1.0

data_Te2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   6.81
_cell_length_c   8.47
_cell_angle_alpha   104.17
_cell_angle_beta   90.0
_cell_angle_gamma   107.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Br
_chemical_formula_sum   'Te4 Br2'
_cell_volume   222.2
_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  0.0  0.64  0.73  1.0
  Te  Te1  1  0.0  0.68  0.6  1.0
  Te  Te2  1  0.0  0.89  0.8  1.0
  Te  Te3  1  0.0  0.98  0.48  1.0
  Br  Br4  1  0.0  0.22  0.62  1.0
  Br  Br5  1  0.0  0.48  0.86  1.0

Te Te Te Te Br Br
Te Te Te Te Br Br 0 2 o o o 0 1 o o o 1 2 o o o 2 5 o o o 3 4 - o o 