data_[La6Rh2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0117]
_cell_length_b [6.8506]
_cell_length_c [8.2736]
_cell_angle_alpha [71.2256]
_cell_angle_beta [81.9303]
_cell_angle_gamma [65.0627]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3RhAu]
_chemical_formula_sum '[La6 Rh2 Au2]'
_cell_volume [292.5245]
_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  0.1161  0.0269  0.7727  1.0
  La  La1  2  0.1825  0.2919  0.3319  1.0
  La  La2  2  0.4495  0.3463  0.8548  1.0
  Rh  Rh3  2  0.0799  0.6603  0.0302  1.0
  Au  Au4  2  0.3388  0.7487  0.4976  1.0
]