data_LaHfCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   130.54
_cell_angle_beta   130.54
_cell_angle_gamma   72.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfCd2
_chemical_formula_sum   'La1 Hf1 Cd2'
_cell_volume   100.77
_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
  La  La3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.54  1.0
  Cd  Cd0  1  0.36  0.0  0.27  1.0
  Cd  Cd1  1  0.0  0.36  0.27  1.0

data_LaHfCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   126.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaHfCd2
_chemical_formula_sum   'La2 Hf2 Cd4'
_cell_volume   201.54
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.46  0.0  0.46  1.0
  Cd  Cd2  4  0.41  0.32  0.09  1.0

La Hf Cd Cd
La Hf Cd Cd 0 3 o o o 0 2 o o o 0 1 o o o 0 1 o o - 1 3 o o o 1 3 o o + 1 3 o - o 1 2 - o o 1 2 o o o 1 2 o o + 