data_TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   10.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeBr
_chemical_formula_sum   'Te2 Br2'
_cell_volume   120.9
_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  0.82  0.05  0.54  1.0
  Te  Te3  1  0.0  0.1  0.27  1.0
  Br  Br0  1  0.82  0.05  0.96  1.0
  Br  Br1  1  0.0  0.1  0.69  1.0

data_TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   10.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeBr
_chemical_formula_sum   'Te2 Br2'
_cell_volume   120.9
_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  0.1  0.27  1.0
  Te  Te1  1  0.82  0.05  0.54  1.0
  Br  Br2  1  -0.0  0.1  0.69  1.0
  Br  Br3  1  0.82  0.05  0.96  1.0

Te Te Br Br