data_Te2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   6.75
_cell_length_c   2.67
_cell_angle_alpha   85.41
_cell_angle_beta   72.48
_cell_angle_gamma   22.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Br
_chemical_formula_sum   'Te2 Br1'
_cell_volume   37.97
_cell_formula_units_Z   1
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  Te1  1  0.2  0.38  0.49  1.0
  Te  Te2  1  0.2  0.38  0.8  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Te2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.4
_cell_length_b   2.67
_cell_length_c   6.75
_cell_angle_alpha   85.41
_cell_angle_beta   79.77
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Br
_chemical_formula_sum   'Te2 Br1'
_cell_volume   37.97
_cell_formula_units_Z   1
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  0.62  0.31  0.58  1.0
  Te  Te1  1  0.62  1.0  0.58  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

Te Te Br