data_TeBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeBrCl2
_chemical_formula_sum   'Te1 Br1 Cl2'
_cell_volume   93.03
_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  Te3  1  0.16  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.58  0.22  0.66  1.0
  Cl  Cl2  1  0.58  0.78  0.66  1.0

data_TeBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   108.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeBrCl2
_chemical_formula_sum   'Te1 Br1 Cl2'
_cell_volume   93.03
_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  0.0  0.16  0.0  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.66  0.58  0.22  1.0
  Cl  Cl3  1  0.66  0.58  0.78  1.0

Te Br Cl Cl