data_La2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   41.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2RuAu
_chemical_formula_sum   'La2 Ru1 Au1'
_cell_volume   102.8
_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  0.0  0.0  0.16  1.0
  La  La2  1  0.22  0.0  0.88  1.0
  Ru  Ru3  1  0.0  0.0  0.48  1.0
  Au  Au0  1  0.22  0.0  0.67  1.0

data_La2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.44
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   110.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2RuAu
_chemical_formula_sum   'La2 Ru1 Au1'
_cell_volume   102.8
_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  0.12  0.22  0.12  1.0
  La  La1  1  0.84  0.0  0.84  1.0
  Ru  Ru2  1  0.52  0.0  0.52  1.0
  Au  Au3  1  0.33  0.22  0.33  1.0

La La Ru Au