data_TeAsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAsCl
_chemical_formula_sum   'Te1 As1 Cl1'
_cell_volume   69.3
_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  Te2  1  0.52  0.46  0.58  1.0
  As  As0  1  1.0  0.91  0.7  1.0
  Cl  Cl1  1  0.0  0.0  0.01  1.0

data_TeAsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAsCl
_chemical_formula_sum   'Te1 As1 Cl1'
_cell_volume   69.3
_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  0.58  0.52  0.46  1.0
  As  As1  1  0.7  1.0  0.91  1.0
  Cl  Cl2  1  0.01  0.0  0.0  1.0

Te As Cl