data_Y4Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   9.44
_cell_angle_alpha   153.73
_cell_angle_beta   153.73
_cell_angle_gamma   37.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Cd
_chemical_formula_sum   'Y4 Cd1'
_cell_volume   164.3
_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  Y1  1  0.14  0.0  0.47  1.0
  Y  Y2  1  0.0  0.0  0.33  1.0
  Y  Y3  1  0.0  0.0  0.54  1.0
  Y  Y4  1  0.0  0.14  0.47  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Y4Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   108.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y4Cd
_chemical_formula_sum   'Y8 Cd2'
_cell_volume   328.59
_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'
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  0.4  0.07  0.32  1.0
  Y  Y1  2  0.04  0.5  0.54  1.0
  Y  Y2  2  0.33  0.0  0.33  1.0
  Cd  Cd3  2  0.0  0.0  0.0  1.0

Y Y Y Y Cd
Y Y Y Y Cd 0 1 o o o 0 2 o o o 0 4 o o o 1 3 o o o 1 2 o o o 1 4 o o o 2 3 o o o 3 4 o o o 