data_LaAl3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   139.38
_cell_angle_beta   139.38
_cell_angle_gamma   58.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl3Au
_chemical_formula_sum   'La1 Al3 Au1'
_cell_volume   105.16
_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  0.86  1.0
  Al  Al1  1  0.0  0.0  0.37  1.0
  Al  Al2  1  0.19  0.0  0.76  1.0
  Al  Al3  1  0.0  0.19  0.76  1.0
  Au  Au4  1  0.0  0.0  0.89  1.0

data_LaAl3Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   119.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAl3Au
_chemical_formula_sum   'La2 Al6 Au2'
_cell_volume   210.32
_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  0.14  1.0
  Al  Al1  4  0.09  0.09  0.43  1.0
  Al  Al2  2  0.0  0.0  0.63  1.0
  Au  Au3  2  0.0  0.0  0.11  1.0

La Al Al Al Au