data_SnAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsCl2
_chemical_formula_sum   'Sn1 As1 Cl2'
_cell_volume   100.19
_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  Sn3  1  0.65  0.0  0.14  1.0
  As  As0  1  0.0  0.0  0.37  1.0
  Cl  Cl1  1  0.65  0.0  0.44  1.0
  Cl  Cl2  1  0.0  0.0  0.21  1.0

data_SnAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.43
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsCl2
_chemical_formula_sum   'Sn1 As1 Cl2'
_cell_volume   100.19
_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  0.65  0.14  1.0
  As  As1  1  0.0  0.0  0.37  1.0
  Cl  Cl2  1  0.0  0.0  0.21  1.0
  Cl  Cl3  1  0.0  0.65  0.44  1.0

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