data_BaLaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   120.79
_cell_angle_beta   119.02
_cell_angle_gamma   90.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaAu2
_chemical_formula_sum   'Ba1 La1 Au2'
_cell_volume   118.44
_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
  Ba  Ba2  1  0.0  0.0  0.0  1.0
  La  La3  1  0.0  0.0  0.89  1.0
  Au  Au0  1  0.72  0.0  0.04  1.0
  Au  Au1  1  0.0  0.8  0.85  1.0

data_BaLaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   60.98
_cell_angle_beta   60.39
_cell_angle_gamma   60.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaAu2
_chemical_formula_sum   'Ba1 La1 Au2'
_cell_volume   118.44
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.89  -0.0  0.11  1.0
  Au  Au2  1  0.32  0.72  0.96  1.0
  Au  Au3  1  0.85  -0.0  0.94  1.0

Ba La Au Au