data_LaYAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   38.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYAu2
_chemical_formula_sum   'La1 Y1 Au2'
_cell_volume   104.24
_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  0.39  0.0  0.75  1.0
  Y  Y3  1  0.0  0.0  0.68  1.0
  Au  Au0  1  0.0  0.0  0.8  1.0
  Au  Au1  1  0.39  0.0  0.82  1.0

data_LaYAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.78
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   109.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYAu2
_chemical_formula_sum   'La1 Y1 Au2'
_cell_volume   104.24
_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  0.25  0.39  0.25  1.0
  Y  Y1  1  0.32  0.0  0.32  1.0
  Au  Au2  1  0.18  0.39  0.18  1.0
  Au  Au3  1  0.2  0.0  0.2  1.0

La Y Au Au