data_LaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.37
_cell_length_b   10.37
_cell_length_c   10.37
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2
_chemical_formula_sum   'La8 Cd16'
_cell_volume   787.86
_cell_formula_units_Z   8
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
  La  La16  1  0.23  0.23  0.23  1.0
  La  La17  1  0.76  0.76  0.23  1.0
  La  La18  1  0.76  0.23  0.76  1.0
  La  La19  1  0.23  0.76  0.76  1.0
  La  La20  1  0.09  0.09  0.09  1.0
  La  La21  1  0.57  0.57  0.09  1.0
  La  La22  1  0.57  0.09  0.57  1.0
  La  La23  1  0.09  0.57  0.57  1.0
  Cd  Cd0  1  0.83  0.5  0.5  1.0
  Cd  Cd1  1  0.5  0.83  0.5  1.0
  Cd  Cd2  1  0.5  0.5  0.83  1.0
  Cd  Cd3  1  0.83  0.83  0.83  1.0
  Cd  Cd4  1  0.33  0.33  0.57  1.0
  Cd  Cd5  1  0.33  0.57  0.33  1.0
  Cd  Cd6  1  0.57  0.33  0.33  1.0
  Cd  Cd7  1  0.09  0.33  0.33  1.0
  Cd  Cd8  1  0.33  0.09  0.33  1.0
  Cd  Cd9  1  0.33  0.33  0.09  1.0
  Cd  Cd10  1  1.0  1.0  0.75  1.0
  Cd  Cd11  1  1.0  0.75  1.0  1.0
  Cd  Cd12  1  0.75  1.0  1.0  1.0
  Cd  Cd13  1  0.24  1.0  1.0  1.0
  Cd  Cd14  1  1.0  0.24  1.0  1.0
  Cd  Cd15  1  1.0  1.0  0.24  1.0

data_LaCd2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.37
_cell_length_b   10.37
_cell_length_c   25.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCd2
_chemical_formula_sum   'La24 Cd48'
_cell_volume   2363.57
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  La  La0  9  0.02  0.51  0.75  1.0
  La  La1  9  0.17  0.35  0.26  1.0
  La  La2  3  0.0  0.0  0.77  1.0
  La  La3  3  0.0  0.0  0.91  1.0
  Cd  Cd4  9  0.08  0.16  0.59  1.0
  Cd  Cd5  9  0.08  0.16  0.92  1.0
  Cd  Cd6  9  0.11  0.56  0.06  1.0
  Cd  Cd7  9  0.16  0.08  0.08  1.0
  Cd  Cd8  9  0.16  0.08  0.75  1.0
  Cd  Cd9  3  0.0  0.0  0.17  1.0

La La La La La La La La Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd
La La La La La La La La Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd 0 15 o o o 0 16 o o o 0 17 o o o 1 8 o o o 1 9 o o o 1 19 o o - 1 20 o o - 2 20 o - o 2 10 o o o 2 18 o - o 2 8 o o o 3 19 - o o 3 18 - o o 3 10 o o o 3 9 o o o 4 23 - - o 4 22 - o - 4 21 o - - 5 14 o o o 5 13 o o o 6 12 o o o 6 14 o o o 7 12 o o o 7 13 o o o 8 15 + o o 9 16 o + o 10 17 o o + 11 20 o o o 11 19 o o o 11 18 o o o 12 14 o o o 12 13 o o o 13 14 o o o 18 19 o o o 18 20 o o o 19 20 o o o 