data_TeAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.29
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAsCl2
_chemical_formula_sum   'Te1 As1 Cl2'
_cell_volume   127.27
_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  0.07  0.14  0.35  1.0
  As  As0  1  0.0  0.0  0.53  1.0
  Cl  Cl1  1  0.07  0.14  0.74  1.0
  Cl  Cl2  1  0.0  0.0  0.29  1.0

data_TeAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.29
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAsCl2
_chemical_formula_sum   'Te1 As1 Cl2'
_cell_volume   127.27
_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  0.07  0.14  0.35  1.0
  As  As1  1  0.0  0.0  0.53  1.0
  Cl  Cl2  1  0.0  0.0  0.29  1.0
  Cl  Cl3  1  0.07  0.14  0.74  1.0

Te As Cl Cl