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 [Pm]
_cell_length_a [8.4260]
_cell_length_b [4.1334]
_cell_length_c [8.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3RuAu]
_chemical_formula_sum '[La6 Ru2 Au2]'
_cell_volume [292.4312]
_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  1  0.2647  0.5000  0.9562  1.0
  La  La1  1  0.3563  0.5000  0.4300  1.0
  La  La2  1  0.6066  0.0000  0.2139  1.0
  La  La3  1  0.6928  0.5000  0.7525  1.0
  La  La4  1  0.9601  0.5000  0.1836  1.0
  La  La5  1  0.9865  0.0000  0.5551  1.0
  Ru  Ru6  1  0.2348  0.0000  0.2099  1.0
  Ru  Ru7  1  0.7534  0.5000  0.4330  1.0
  Au  Au8  1  0.3940  0.0000  0.7292  1.0
  Au  Au9  1  0.9536  0.0000  0.9108  1.0
]