data_LaY2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   5.39
_cell_angle_alpha   113.98
_cell_angle_beta   113.98
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Au
_chemical_formula_sum   'La1 Y2 Au1'
_cell_volume   117.84
_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  La1  1  0.31  0.0  0.38  1.0
  Y  Y2  1  0.34  0.0  0.86  1.0
  Y  Y3  1  0.0  0.0  0.42  1.0
  Au  Au0  1  0.25  0.0  0.55  1.0

data_LaY2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.39
_cell_length_c   6.61
_cell_angle_alpha   113.98
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Au
_chemical_formula_sum   'La1 Y2 Au1'
_cell_volume   117.84
_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  0.38  0.31  1.0
  Y  Y1  1  0.0  0.42  0.0  1.0
  Y  Y2  1  0.0  0.86  0.34  1.0
  Au  Au3  1  0.0  0.55  0.25  1.0

La Y Y Au