data_SnAsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   143.46
_cell_angle_beta   124.85
_cell_angle_gamma   67.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsCl
_chemical_formula_sum   'Sn1 As1 Cl1'
_cell_volume   72.26
_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  0.0  0.0  0.15  1.0
  As  As0  1  0.0  0.0  0.49  1.0
  Cl  Cl1  1  0.0  0.0  0.98  1.0

data_SnAsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.92
_cell_length_c   5.32
_cell_angle_alpha   117.57
_cell_angle_beta   108.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsCl
_chemical_formula_sum   'Sn1 As1 Cl1'
_cell_volume   72.26
_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  0.85  0.85  0.85  1.0
  As  As1  1  0.51  0.51  0.51  1.0
  Cl  Cl2  1  0.02  0.02  0.02  1.0

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