data_SnTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   4.9
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTeCl2
_chemical_formula_sum   'Sn1 Te1 Cl2'
_cell_volume   124.62
_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
  Sn  Sn2  1  0.68  0.0  0.01  1.0
  Te  Te3  1  0.71  0.45  0.68  1.0
  Cl  Cl0  1  0.25  0.0  0.63  1.0
  Cl  Cl1  1  0.71  0.45  0.35  1.0

data_SnTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   5.01
_cell_length_c   5.48
_cell_angle_alpha   112.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTeCl2
_chemical_formula_sum   'Sn1 Te1 Cl2'
_cell_volume   124.62
_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
  Sn  Sn0  1  0.0  0.32  0.99  1.0
  Te  Te1  1  0.55  0.29  0.32  1.0
  Cl  Cl2  1  0.0  0.75  0.37  1.0
  Cl  Cl3  1  0.55  0.29  0.65  1.0

Sn Te Cl Cl
Sn Te Cl Cl 0 2 o o - 0 1 o o - 0 3 o o o 1 3 o o o 