data_Ni2SnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   3.17
_cell_angle_alpha   104.81
_cell_angle_beta   104.81
_cell_angle_gamma   108.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnCl
_chemical_formula_sum   'Ni2 Sn1 Cl1'
_cell_volume   65.28
_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
  Ni  Ni1  1  0.74  0.99  0.43  1.0
  Ni  Ni2  1  0.74  0.01  0.43  1.0
  Sn  Sn3  1  0.87  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ni2SnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   108.34
_cell_angle_beta   104.81
_cell_angle_gamma   104.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnCl
_chemical_formula_sum   'Ni2 Sn1 Cl1'
_cell_volume   65.28
_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
  Ni  Ni0  1  0.43  0.74  0.01  1.0
  Ni  Ni1  1  0.43  0.74  0.99  1.0
  Sn  Sn2  1  0.0  0.87  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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