data_CrSnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   153.39
_cell_angle_beta   153.39
_cell_angle_gamma   37.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSnCl
_chemical_formula_sum   'Cr1 Sn1 Cl1'
_cell_volume   68.46
_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
  Cr  Cr1  1  0.0  0.0  0.62  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.6  1.0

data_CrSnCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSnCl
_chemical_formula_sum   'Cr2 Sn2 Cl2'
_cell_volume   136.93
_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
  Cr  Cr0  2  0.0  0.0  0.38  1.0
  Sn  Sn1  2  0.0  0.0  1.0  1.0
  Cl  Cl2  2  0.0  0.0  0.4  1.0

Cr Sn Cl
Cr Sn Cl 0 2 o o o 0 1 o o + 1 1 + o + 1 1 o + + 1 2 o o - 