data_CrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.16
_cell_length_c   2.55
_cell_angle_alpha   86.54
_cell_angle_beta   70.48
_cell_angle_gamma   22.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCl2
_chemical_formula_sum   'Cr1 Cl2'
_cell_volume   27.91
_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  Cr2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.97  0.36  0.11  1.0
  Cl  Cl1  1  0.97  0.36  0.05  1.0

data_CrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   1.95
_cell_length_b   2.55
_cell_length_c   6.16
_cell_angle_alpha   86.54
_cell_angle_beta   80.89
_cell_angle_gamma   67.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCl2
_chemical_formula_sum   'Cr1 Cl2'
_cell_volume   27.91
_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  0.0  0.0  1.0
  Cl  Cl1  1  0.03  0.02  0.33  1.0
  Cl  Cl2  1  0.03  0.08  0.33  1.0

Cr Cl Cl