data_Sn2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2AsCl
_chemical_formula_sum   'Sn2 As1 Cl1'
_cell_volume   103.67
_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  0.19  0.0  0.21  1.0
  Sn  Sn3  1  0.19  0.0  0.02  1.0
  As  As0  1  0.0  0.0  0.12  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Sn2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2AsCl
_chemical_formula_sum   'Sn2 As1 Cl1'
_cell_volume   103.67
_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  0.19  0.0  0.02  1.0
  Sn  Sn1  1  0.19  0.0  0.21  1.0
  As  As2  1  0.0  0.0  0.12  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sn Sn As Cl
Sn Sn As Cl 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 