data_CrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.74
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCl2
_chemical_formula_sum   'Cr2 Cl4'
_cell_volume   142.34
_cell_formula_units_Z   2
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  0.03  0.37  0.74  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.73  0.95  0.74  1.0
  Cl  Cl3  1  0.32  0.79  0.74  1.0
  Cl  Cl4  1  0.35  0.32  0.0  1.0
  Cl  Cl5  1  0.7  0.42  0.0  1.0

data_CrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   6.06
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCl2
_chemical_formula_sum   'Cr2 Cl4'
_cell_volume   142.34
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Cr  Cr1  1  0.74  0.03  0.37  1.0
  Cl  Cl2  1  0.0  0.35  0.32  1.0
  Cl  Cl3  1  0.0  0.7  0.42  1.0
  Cl  Cl4  1  0.74  0.32  0.79  1.0
  Cl  Cl5  1  0.74  0.73  0.95  1.0

Cr Cr Cl Cl Cl Cl