data_[La6Zn45Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2202]
_cell_length_b [9.2202]
_cell_length_c [13.4392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Zn15Au2]
_chemical_formula_sum '[La6 Zn45 Au6]'
_cell_volume [989.4301]
_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  6  0.0000  0.0000  0.3401  1.0
  Zn  Zn1  18  0.0000  0.2903  0.0000  1.0
  Zn  Zn2  18  0.0073  0.5037  0.1545  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Au  Au4  6  0.0000  0.0000  0.1103  1.0
]