data_YCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   7.42
_cell_angle_alpha   91.23
_cell_angle_beta   91.23
_cell_angle_gamma   29.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCl5
_chemical_formula_sum   'Y1 Cl5'
_cell_volume   194.7
_cell_formula_units_Z   1
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  Y5  1  0.86  0.0  0.2  1.0
  Cl  Cl0  1  0.65  0.0  0.8  1.0
  Cl  Cl1  1  0.09  0.0  0.94  1.0
  Cl  Cl2  1  0.89  0.0  0.72  1.0
  Cl  Cl3  1  0.22  0.0  0.49  1.0
  Cl  Cl4  1  0.27  0.0  0.85  1.0

data_YCl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   7.27
_cell_length_c   7.42
_cell_angle_alpha   91.23
_cell_angle_beta   90.0
_cell_angle_gamma   104.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCl5
_chemical_formula_sum   'Y1 Cl5'
_cell_volume   194.7
_cell_formula_units_Z   1
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  0.14  0.8  1.0
  Cl  Cl1  1  0.0  0.11  0.28  1.0
  Cl  Cl2  1  0.0  0.35  0.2  1.0
  Cl  Cl3  1  0.0  0.73  0.15  1.0
  Cl  Cl4  1  0.0  0.78  0.51  1.0
  Cl  Cl5  1  0.0  0.91  0.06  1.0

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