data_CrSnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSnCl
_chemical_formula_sum   'Cr1 Sn1 Cl1'
_cell_volume   52.74
_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  0.2  0.27  0.0  1.0
  Sn  Sn2  1  0.0  0.54  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CrSnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSnCl
_chemical_formula_sum   'Cr1 Sn1 Cl1'
_cell_volume   52.74
_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  Cr0  1  0.0  0.2  0.27  1.0
  Sn  Sn1  1  0.58  0.0  0.54  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

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