data_ZnTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   4.17
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Cl
_chemical_formula_sum   'Zn1 Te2 Cl1'
_cell_volume   114.94
_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
  Zn  Zn3  1  0.63  0.0  0.0  1.0
  Te  Te1  1  0.78  0.08  0.41  1.0
  Te  Te2  1  0.0  0.08  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZnTe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   5.25
_cell_length_c   5.45
_cell_angle_alpha   105.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Cl
_chemical_formula_sum   'Zn1 Te2 Cl1'
_cell_volume   114.94
_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
  Zn  Zn0  1  0.0  0.37  0.0  1.0
  Te  Te1  1  0.92  0.22  0.59  1.0
  Te  Te2  1  0.92  1.0  0.16  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zn Te Te Cl
Zn Te Te Cl 0 3 + o o 0 2 + o - 0 1 o o o 1 2 + o o 2 3 o o + 