data_La5Al15Cu4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   27.03
_cell_length_b   27.03
_cell_length_c   27.03
_cell_angle_alpha   170.81
_cell_angle_beta   170.81
_cell_angle_gamma   13.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Al15Cu4Au
_chemical_formula_sum   'La5 Al15 Cu4 Au1'
_cell_volume   503.72
_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  0.0  0.68  1.0
  La  La1  1  0.0  0.0  0.19  1.0
  La  La2  1  0.0  0.0  0.7  1.0
  La  La3  1  0.0  0.0  0.92  1.0
  La  La4  1  0.0  0.0  0.39  1.0
  Al  Al5  1  0.17  0.0  0.63  1.0
  Al  Al6  1  0.0  0.17  1.0  1.0
  Al  Al7  1  0.17  0.0  0.37  1.0
  Al  Al8  1  0.0  0.17  0.71  1.0
  Al  Al9  1  0.17  0.0  0.2  1.0
  Al  Al10  1  0.0  0.17  0.63  1.0
  Al  Al11  1  0.17  0.0  1.0  1.0
  Al  Al12  1  0.0  0.17  0.37  1.0
  Al  Al13  1  0.17  0.0  0.71  1.0
  Al  Al14  1  0.0  0.17  0.2  1.0
  Al  Al15  1  0.0  0.0  0.3  1.0
  Al  Al16  1  0.0  0.0  0.52  1.0
  Al  Al17  1  0.0  0.0  0.04  1.0
  Al  Al18  1  0.0  0.0  0.18  1.0
  Al  Al19  1  0.0  0.0  0.82  1.0
  Cu  Cu20  1  0.0  0.0  0.25  1.0
  Cu  Cu21  1  0.0  0.0  0.75  1.0
  Cu  Cu22  1  0.0  0.0  0.97  1.0
  Cu  Cu23  1  0.0  0.0  0.48  1.0
  Au  Au24  1  0.0  0.0  0.68  1.0

data_La5Al15Cu4Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   27.03
_cell_angle_alpha   90.0
_cell_angle_beta   96.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La5Al15Cu4Au
_chemical_formula_sum   'La10 Al30 Cu8 Au2'
_cell_volume   1007.44
_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  0.08  1.0
  La  La1  2  0.0  0.0  0.3  1.0
  La  La2  2  0.0  0.0  0.32  1.0
  La  La3  2  0.0  0.0  0.61  1.0
  La  La4  2  0.0  0.0  0.81  1.0
  Al  Al5  4  0.08  0.08  0.17  1.0
  Al  Al6  4  0.08  0.08  0.45  1.0
  Al  Al7  4  0.08  0.08  0.53  1.0
  Al  Al8  4  0.08  0.08  0.8  1.0
  Al  Al9  4  0.08  0.08  0.97  1.0
  Al  Al10  2  0.0  0.0  0.18  1.0
  Al  Al11  2  0.0  0.0  0.48  1.0
  Al  Al12  2  0.0  0.0  0.7  1.0
  Al  Al13  2  0.0  0.0  0.82  1.0
  Al  Al14  2  0.0  0.0  0.96  1.0
  Cu  Cu15  2  0.0  0.0  0.03  1.0
  Cu  Cu16  2  0.0  0.0  0.25  1.0
  Cu  Cu17  2  0.0  0.0  0.52  1.0
  Cu  Cu18  2  0.0  0.0  0.75  1.0
  Au  Au19  2  0.0  0.0  0.32  1.0
