data_[La18Co3Ru6Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2054]
_cell_length_b [7.2054]
_cell_length_c [19.7934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [La6CoRu2Au]
_chemical_formula_sum '[La18 Co3 Ru6 Au3]'
_cell_volume [889.9434]
_cell_formula_units_Z [3]
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  9  0.0225  0.6884  0.5874  1.0
  La  La1  9  0.0232  0.3351  0.4136  1.0
  Co  Co2  3  0.0000  0.0000  0.6612  1.0
  Ru  Ru3  3  0.0000  0.0000  0.0089  1.0
  Ru  Ru4  3  0.0000  0.0000  0.5014  1.0
  Au  Au5  3  0.0000  0.0000  0.1652  1.0
]