data_ZnSn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   4.94
_cell_angle_alpha   110.53
_cell_angle_beta   110.53
_cell_angle_gamma   27.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Cl
_chemical_formula_sum   'Zn1 Sn2 Cl1'
_cell_volume   99.22
_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  0.29  0.0  0.22  1.0
  Sn  Sn1  1  0.32  0.0  0.17  1.0
  Sn  Sn2  1  0.53  0.0  0.11  1.0
  Cl  Cl0  1  0.93  0.0  0.42  1.0

data_ZnSn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.94
_cell_length_c   6.78
_cell_angle_alpha   110.53
_cell_angle_beta   103.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Cl
_chemical_formula_sum   'Zn1 Sn2 Cl1'
_cell_volume   99.22
_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  0.22  0.29  1.0
  Sn  Sn1  1  0.0  0.11  0.53  1.0
  Sn  Sn2  1  0.0  0.17  0.32  1.0
  Cl  Cl3  1  0.0  0.42  0.93  1.0

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