data_ZnSnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnCl2
_chemical_formula_sum   'Zn1 Sn1 Cl2'
_cell_volume   95.86
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.21  0.0  0.0  1.0
  Cl  Cl0  1  0.61  0.93  0.93  1.0
  Cl  Cl1  1  0.61  0.07  0.93  1.0

data_ZnSnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   100.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnCl2
_chemical_formula_sum   'Zn1 Sn1 Cl2'
_cell_volume   95.86
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  -0.0  0.21  0.0  1.0
  Cl  Cl2  1  0.93  0.61  0.07  1.0
  Cl  Cl3  1  0.93  0.61  0.93  1.0

Zn Sn Cl Cl
Zn Sn Cl Cl 0 1 o o o 2 3 o + o 