data_Sn2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TeCl
_chemical_formula_sum   'Sn2 Te1 Cl1'
_cell_volume   110.31
_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  Sn1  1  0.0  0.64  0.97  1.0
  Sn  Sn2  1  0.64  0.0  0.97  1.0
  Te  Te3  1  0.64  0.64  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sn2TeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2TeCl
_chemical_formula_sum   'Sn4 Te2 Cl2'
_cell_volume   220.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.32  0.32  0.97  1.0
  Te  Te1  2  0.14  0.5  -0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Sn Sn Te Cl