data_YCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.83
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   119.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCl3
_chemical_formula_sum   'Y2 Cl6'
_cell_volume   270.88
_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
  Y  Y6  1  0.51  0.98  0.0  1.0
  Y  Y7  1  0.51  0.02  0.0  1.0
  Cl  Cl0  1  0.86  0.0  0.52  1.0
  Cl  Cl1  1  0.78  0.0  0.89  1.0
  Cl  Cl2  1  0.83  0.22  0.93  1.0
  Cl  Cl3  1  0.8  0.22  0.48  1.0
  Cl  Cl4  1  0.8  0.78  0.48  1.0
  Cl  Cl5  1  0.83  0.78  0.93  1.0

data_YCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.83
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   119.64
_cell_angle_beta   100.06
_cell_angle_gamma   100.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCl3
_chemical_formula_sum   'Y2 Cl6'
_cell_volume   270.88
_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
  Y  Y0  1  0.0  0.51  0.02  1.0
  Y  Y1  1  0.0  0.51  0.98  1.0
  Cl  Cl2  1  0.48  0.8  0.22  1.0
  Cl  Cl3  1  0.48  0.8  0.78  1.0
  Cl  Cl4  1  0.52  0.86  0.0  1.0
  Cl  Cl5  1  0.89  0.78  0.0  1.0
  Cl  Cl6  1  0.93  0.83  0.22  1.0
  Cl  Cl7  1  0.93  0.83  0.78  1.0

Y Y Cl Cl Cl Cl Cl Cl
Y Y Cl Cl Cl Cl Cl Cl 0 1 o + o 2 6 o - o 2 5 o o o 3 4 o o o 3 7 o - o 