data_CuSnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   3.36
_cell_angle_alpha   106.22
_cell_angle_beta   106.22
_cell_angle_gamma   99.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnCl2
_chemical_formula_sum   'Cu1 Sn1 Cl2'
_cell_volume   91.68
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.59  0.0  0.0  1.0
  Cl  Cl0  1  0.79  0.89  0.0  1.0
  Cl  Cl1  1  0.79  0.11  0.0  1.0

data_CuSnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   99.25
_cell_angle_beta   106.22
_cell_angle_gamma   106.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnCl2
_chemical_formula_sum   'Cu1 Sn1 Cl2'
_cell_volume   91.68
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.59  0.0  1.0
  Cl  Cl2  1  0.0  0.79  0.11  1.0
  Cl  Cl3  1  0.0  0.79  0.89  1.0

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