data_Yb4Cl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4Cl6O
_chemical_formula_sum   'Yb8 Cl12 O2'
_cell_volume   474.13
_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
  Yb  Yb0  1  0.49  0.59  0.31  1.0
  Yb  Yb1  1  0.81  0.23  0.01  1.0
  Yb  Yb2  1  0.68  0.55  0.4  1.0
  Yb  Yb3  1  0.49  0.69  0.4  1.0
  Yb  Yb4  1  0.31  0.55  0.4  1.0
  Yb  Yb5  1  0.19  0.23  0.01  1.0
  Yb  Yb6  1  0.0  0.09  0.01  1.0
  Yb  Yb7  1  0.0  0.19  0.92  1.0
  Cl  Cl8  1  0.49  0.55  0.44  1.0
  Cl  Cl9  1  0.37  0.7  0.63  1.0
  Cl  Cl10  1  0.0  0.23  0.83  1.0
  Cl  Cl11  1  0.72  0.62  0.44  1.0
  Cl  Cl12  1  0.0  0.16  0.63  1.0
  Cl  Cl13  1  0.77  0.17  0.83  1.0
  Cl  Cl14  1  0.23  0.17  0.83  1.0
  Cl  Cl15  1  0.26  0.62  0.44  1.0
  Cl  Cl16  1  0.63  0.7  0.63  1.0
  Cl  Cl17  1  0.49  0.63  0.02  1.0
  Cl  Cl18  1  0.12  0.08  0.02  1.0
  Cl  Cl19  1  0.87  0.08  0.02  1.0
  O  O20  1  0.49  0.59  0.11  1.0
  O  O21  1  0.0  0.19  0.72  1.0

data_Yb4Cl6O
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.78
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4Cl6O
_chemical_formula_sum   'Yb8 Cl12 O2'
_cell_volume   474.13
_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
  Yb  Yb0  1  0.01  0.0  0.09  1.0
  Yb  Yb1  1  0.01  0.19  0.23  1.0
  Yb  Yb2  1  0.01  0.81  0.23  1.0
  Yb  Yb3  1  0.31  0.49  0.59  1.0
  Yb  Yb4  1  0.4  0.31  0.55  1.0
  Yb  Yb5  1  0.4  0.49  0.69  1.0
  Yb  Yb6  1  0.4  0.68  0.55  1.0
  Yb  Yb7  1  0.92  0.0  0.19  1.0
  Cl  Cl8  1  0.02  0.12  0.08  1.0
  Cl  Cl9  1  0.02  0.49  0.63  1.0
  Cl  Cl10  1  0.02  0.87  0.08  1.0
  Cl  Cl11  1  0.44  0.26  0.62  1.0
  Cl  Cl12  1  0.44  0.49  0.55  1.0
  Cl  Cl13  1  0.44  0.72  0.62  1.0
  Cl  Cl14  1  0.63  0.0  0.16  1.0
  Cl  Cl15  1  0.63  0.37  0.7  1.0
  Cl  Cl16  1  0.63  0.63  0.7  1.0
  Cl  Cl17  1  0.83  0.0  0.23  1.0
  Cl  Cl18  1  0.83  0.23  0.17  1.0
  Cl  Cl19  1  0.83  0.77  0.17  1.0
  O  O20  1  0.11  0.49  0.59  1.0
  O  O21  1  0.72  0.0  0.19  1.0

Yb Yb Yb Yb Yb Yb Yb Yb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O
Yb Yb Yb Yb Yb Yb Yb Yb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O 0 3 o o o 0 8 o o o 1 13 o o - 2 11 o o o 3 8 o o o 3 9 o o o 3 16 o o o 4 15 o o o 4 9 o o o 5 6 o o o 5 14 o o - 5 18 o o o 6 19 - o o 6 7 o o - 6 18 o o o 7 10 o o o 7 19 - o + 8 16 o o o 9 15 o o o 10 21 o o o 11 16 o o o 12 21 o o o 14 18 o o + 17 20 o o o 