data_[La3Sc9Au12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.1431]
_cell_length_b [11.1431]
_cell_length_c [8.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [LaSc3(AuO3)4]
_chemical_formula_sum '[La3 Sc9 Au12 O36]'
_cell_volume [896.4576]
_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  3  0.0000  0.0000  0.0000  1
  Sc  Sc1  9  0.0000  0.5691  0.0000  1
  Au  Au2  9  0.0000  0.4078  0.5000  1
  Au  Au3  3  0.0000  0.0000  0.5000  1
  O  O4  18  0.0558  0.1877  0.1976  1
  O  O5  9  0.0000  0.5953  0.5000  1
  O  O6  9  0.0000  0.8211  0.5000  1
]