data_InSnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   127.7
_cell_angle_beta   127.7
_cell_angle_gamma   77.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnCl2
_chemical_formula_sum   'In1 Sn1 Cl2'
_cell_volume   103.42
_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
  In  In2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.33  1.0
  Cl  Cl0  1  0.0  0.44  0.17  1.0
  Cl  Cl1  1  0.44  0.0  0.17  1.0

data_InSnCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   128.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSnCl2
_chemical_formula_sum   'In2 Sn2 Cl4'
_cell_volume   206.84
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.17  0.5  0.67  1.0
  Cl  Cl2  4  0.05  0.22  0.28  1.0

In Sn Cl Cl
In Sn Cl Cl 0 2 o o o 0 3 o o o 0 1 o o o 