data_NaDyCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.79
_cell_length_c   7.08
_cell_angle_alpha   89.61
_cell_angle_beta   88.07
_cell_angle_gamma   78.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaDyCl4
_chemical_formula_sum   'Na2 Dy2 Cl8'
_cell_volume   314.95
_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
  Na  Na0  1  0.94  0.32  0.79  1.0
  Na  Na1  1  0.35  0.33  0.29  1.0
  Dy  Dy2  1  0.7  0.99  0.39  1.0
  Dy  Dy3  1  0.59  0.66  0.69  1.0
  Cl  Cl4  1  0.47  0.38  0.58  1.0
  Cl  Cl5  1  0.82  0.27  0.49  1.0
  Cl  Cl6  1  0.69  0.01  0.45  1.0
  Cl  Cl7  1  0.6  0.64  0.62  1.0
  Cl  Cl8  1  0.05  0.35  0.7  1.0
  Cl  Cl9  1  0.24  0.3  0.38  1.0
  Cl  Cl10  1  0.75  0.56  0.83  1.0
  Cl  Cl11  1  0.54  0.09  0.24  1.0

data_NaDyCl4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.69
_cell_length_b   6.79
_cell_length_c   7.08
_cell_angle_alpha   89.61
_cell_angle_beta   88.07
_cell_angle_gamma   78.47
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaDyCl4
_chemical_formula_sum   'Na2 Dy2 Cl8'
_cell_volume   314.95
_cell_formula_units_Z   2
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
  Na  Na0  2  0.2  0.01  0.25  1.0
  Dy  Dy1  2  0.44  0.33  0.65  1.0
  Cl  Cl2  2  0.09  0.98  0.34  1.0
  Cl  Cl3  2  0.32  0.06  0.54  1.0
  Cl  Cl4  2  0.39  0.77  0.21  1.0
  Cl  Cl5  2  0.46  0.31  0.59  1.0

Na Na Dy Dy Cl Cl Cl Cl Cl Cl Cl Cl
Na Na Dy Dy Cl Cl Cl Cl Cl Cl Cl Cl 0 8 + o o 0 5 o o o 0 10 o o o 1 9 o o o 1 4 o o o 1 11 o o o 2 6 o + o 2 5 o + o 2 11 o + o 3 7 o o o 3 4 o o o 3 10 o o o 4 9 o o o 4 5 o o o 4 7 o o o 5 6 o o o 5 8 + o o 6 11 o o o 7 10 o o o 
NaDyCl4 is Cubic alpha N2-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two NaDyCl4 clusters. Na(1) is bonded in a 3-coordinate geometry to one Cl(1), one Cl(3), and one Cl(4) atom. The Na(1)-Cl(1) bond length is 2.33 Å. The Na(1)-Cl(3) bond length is 1.01 Å. The Na(1)-Cl(4) bond length is 1.88 Å. Dy(1) is bonded in a distorted single-bond geometry to one Cl(2) and one Cl(4) atom. The Dy(1)-Cl(2) bond length is 0.47 Å. The Dy(1)-Cl(4) bond length is 1.57 Å. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Na(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Dy(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Na(1) atom. In the fourth Cl site, Cl(4) is bonded in a bent 120 degrees geometry to one Na(1) and one Dy(1) atom.