data_Y3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.52
_cell_length_b   12.52
_cell_length_c   12.52
_cell_angle_alpha   159.51
_cell_angle_beta   159.51
_cell_angle_gamma   29.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Cl
_chemical_formula_sum   'Y6 Cl2'
_cell_volume   240.21
_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  Y2  1  0.23  0.0  0.0  1.0
  Y  Y3  1  0.0  0.23  0.0  1.0
  Y  Y4  1  0.0  0.23  0.06  1.0
  Y  Y5  1  0.23  0.0  0.06  1.0
  Y  Y6  1  0.0  0.0  0.35  1.0
  Y  Y7  1  0.0  0.0  0.88  1.0
  Cl  Cl0  1  0.0  0.0  0.23  1.0
  Cl  Cl1  1  0.0  0.0  0.01  1.0

data_Y3Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y3Cl
_chemical_formula_sum   'Y12 Cl4'
_cell_volume   480.42
_cell_formula_units_Z   4
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'
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  4  0.39  0.39  0.77  1.0
  Y  Y1  4  0.44  0.39  0.83  1.0
  Y  Y2  2  0.35  0.0  0.35  1.0
  Y  Y3  2  0.38  0.5  0.88  1.0
  Cl  Cl4  2  0.01  0.0  0.01  1.0
  Cl  Cl5  2  0.23  0.0  0.23  1.0

Y Y Y Y Y Y Cl Cl