data_YbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   13.01
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCl2
_chemical_formula_sum   'Yb8 Cl16'
_cell_volume   586.32
_cell_formula_units_Z   8
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
  Yb  Yb16  1  0.09  0.96  0.71  1.0
  Yb  Yb17  1  0.09  0.55  0.3  1.0
  Yb  Yb18  1  0.84  0.46  0.71  1.0
  Yb  Yb19  1  0.84  0.05  0.3  1.0
  Yb  Yb20  1  0.78  0.96  0.51  1.0
  Yb  Yb21  1  0.78  0.55  0.11  1.0
  Yb  Yb22  1  0.53  0.46  0.51  1.0
  Yb  Yb23  1  0.53  0.05  0.11  1.0
  Cl  Cl0  1  0.62  0.65  0.02  1.0
  Cl  Cl1  1  0.62  0.86  0.61  1.0
  Cl  Cl2  1  0.67  0.7  0.01  1.0
  Cl  Cl3  1  0.67  0.81  0.61  1.0
  Cl  Cl4  1  0.26  0.2  0.01  1.0
  Cl  Cl5  1  0.26  0.31  0.61  1.0
  Cl  Cl6  1  0.31  0.14  0.02  1.0
  Cl  Cl7  1  0.31  0.36  0.61  1.0
  Cl  Cl8  1  0.31  0.65  0.2  1.0
  Cl  Cl9  1  0.31  0.86  0.79  1.0
  Cl  Cl10  1  0.36  0.7  0.21  1.0
  Cl  Cl11  1  0.36  0.81  0.8  1.0
  Cl  Cl12  1  0.95  0.2  0.21  1.0
  Cl  Cl13  1  0.95  0.31  0.8  1.0
  Cl  Cl14  1  0.0  0.14  0.2  1.0
  Cl  Cl15  1  0.0  0.36  0.79  1.0

data_YbCl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.62
_cell_length_b   6.81
_cell_length_c   13.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YbCl2
_chemical_formula_sum   'Yb8 Cl16'
_cell_volume   586.32
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Yb  Yb0  2  0.03  0.39  0.54  1.0
  Yb  Yb1  2  0.03  0.8  0.95  1.0
  Yb  Yb2  2  0.28  0.39  0.05  1.0
  Yb  Yb3  2  0.28  0.8  0.46  1.0
  Cl  Cl4  2  0.14  0.3  0.7  1.0
  Cl  Cl5  2  0.14  0.89  0.81  1.0
  Cl  Cl6  2  0.19  0.29  0.64  1.0
  Cl  Cl7  2  0.19  0.89  0.86  1.0
  Cl  Cl8  2  0.45  0.11  0.7  1.0
  Cl  Cl9  2  0.45  0.7  0.81  1.0
  Cl  Cl10  2  0.5  0.29  0.14  1.0
  Cl  Cl11  2  0.5  0.89  0.36  1.0

Yb Yb Yb Yb Yb Yb Yb Yb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl