data_LaRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.71
_cell_angle_alpha   114.75
_cell_angle_beta   114.75
_cell_angle_gamma   44.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRuAu2
_chemical_formula_sum   'La1 Ru1 Au2'
_cell_volume   81.32
_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  0.7  0.0  0.97  1.0
  Ru  Ru3  1  0.75  0.0  0.16  1.0
  Au  Au0  1  0.01  0.0  0.19  1.0
  Au  Au1  1  0.85  0.0  0.2  1.0

data_LaRuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.71
_cell_length_c   5.27
_cell_angle_alpha   114.75
_cell_angle_beta   112.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRuAu2
_chemical_formula_sum   'La1 Ru1 Au2'
_cell_volume   81.32
_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  0.97  0.7  1.0
  Ru  Ru1  1  0.0  0.16  0.75  1.0
  Au  Au2  1  0.0  0.19  0.01  1.0
  Au  Au3  1  0.0  0.2  0.85  1.0

La Ru Au Au