data_La2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   124.34
_cell_angle_beta   121.04
_cell_angle_gamma   85.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CdAu
_chemical_formula_sum   'La2 Cd1 Au1'
_cell_volume   113.44
_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  La2  1  0.0  0.72  0.99  1.0
  La  La3  1  0.58  0.0  0.07  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.05  1.0

data_La2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.43
_cell_length_c   5.52
_cell_angle_alpha   119.48
_cell_angle_beta   117.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CdAu
_chemical_formula_sum   'La2 Cd1 Au1'
_cell_volume   113.44
_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  La0  1  0.0  0.07  0.49  1.0
  La  La1  1  0.28  0.27  0.27  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.05  0.05  1.0

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