data_ZnSnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   124.57
_cell_angle_beta   124.57
_cell_angle_gamma   82.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnCl2
_chemical_formula_sum   'Zn1 Sn1 Cl2'
_cell_volume   95.53
_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  0.0  0.0  0.97  1.0
  Cl  Cl0  1  0.45  0.0  0.99  1.0
  Cl  Cl1  1  0.0  0.45  0.99  1.0

data_ZnSnCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   131.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSnCl2
_chemical_formula_sum   'Zn2 Sn2 Cl4'
_cell_volume   191.06
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.03  0.0  0.03  1.0
  Cl  Cl2  4  0.24  0.23  0.47  1.0

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