data_DyCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   8.48
_cell_length_c   25.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCl3
_chemical_formula_sum   'Dy2 Cl6'
_cell_volume   831.62
_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
  Dy  Dy0  1  0.0  0.75  0.12  1.0
  Dy  Dy1  1  0.5  0.25  0.13  1.0
  Cl  Cl2  1  0.5  0.75  0.05  1.0
  Cl  Cl3  1  0.0  0.43  0.08  1.0
  Cl  Cl4  1  0.0  0.07  0.08  1.0
  Cl  Cl5  1  0.5  0.57  0.17  1.0
  Cl  Cl6  1  0.5  0.93  0.17  1.0
  Cl  Cl7  1  0.0  0.25  0.2  1.0

Dy Dy Cl Cl Cl Cl Cl Cl 0 5 - o o 0 5 o o o 0 2 - o o 0 2 o o o 0 6 - o o 0 6 o o o 0 3 o o o 0 4 o + o 1 4 o o o 1 4 + o o 1 3 o o o 1 3 + o o 1 7 o o o 1 7 + o o 1 6 o - o 1 5 o o o 2 3 + o o 2 3 o o o 2 4 + + o 2 4 o + o 3 5 - o o 3 5 o o o 3 4 o o o 4 6 - - o 4 6 o - o 5 7 o o o 5 7 + o o 5 6 o o o 6 7 o + o 6 7 + + o 
data_DyCl3
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   3.77
_cell_length_b   8.48
_cell_length_c   25.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   DyCl3
_chemical_formula_sum   'Dy2 Cl6'
_cell_volume   831.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  'x+1/2, -y+1/2, -z'
  4  '-x+1/2, y+1/2, -z'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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
  Dy  Dy0  2  0.0  0.5  1.0  1.0
  Cl  Cl1  4  0.0  0.18  0.95  1.0
  Cl  Cl2  2  0.0  0.0  0.08  1.0

Dy Dy Cl Cl Cl Cl Cl Cl