data_YCCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   9.62
_cell_angle_alpha   95.0
_cell_angle_beta   95.0
_cell_angle_gamma   57.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCCl
_chemical_formula_sum   'Y2 C2 Cl2'
_cell_volume   124.58
_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  0.85  0.0  0.48  1.0
  Y  Y1  1  0.09  0.0  0.09  1.0
  C  C2  1  0.9  0.0  0.38  1.0
  C  C3  1  0.03  0.0  0.19  1.0
  Cl  Cl4  1  0.58  0.0  0.39  1.0
  Cl  Cl5  1  0.35  0.0  0.18  1.0

data_YCCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.78
_cell_length_b   3.93
_cell_length_c   9.62
_cell_angle_alpha   95.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.72
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YCCl
_chemical_formula_sum   'Y2 C2 Cl2'
_cell_volume   124.58
_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
  Y  Y0  2  0.0  0.12  0.3  1.0
  C  C1  2  0.0  0.07  0.4  1.0
  Cl  Cl2  2  0.0  0.39  0.4  1.0

Y Y C C Cl Cl
Y Y C C Cl Cl 0 2 o o o 0 4 o o o 1 3 o o o 1 5 o o o 2 4 o o o 3 5 o o o 