data_[La6Ru2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7489]
_cell_length_b [4.1405]
_cell_length_c [8.8072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3RuAu]
_chemical_formula_sum '[La6 Ru2 Au2]'
_cell_volume [310.8481]
_cell_formula_units_Z [2]
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  2  0.0603  0.2500  0.3215  1.0
  La  La1  2  0.2893  0.2500  0.9678  1.0
  La  La2  2  0.3860  0.7500  0.6312  1.0
  Ru  Ru3  2  0.1753  0.2500  0.6737  1.0
  Au  Au4  2  0.3264  0.7500  0.2489  1.0
]