data_[Ca6La3Au27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6902]
_cell_length_b [5.6902]
_cell_length_c [28.0141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2LaAu9]
_chemical_formula_sum '[Ca6 La3 Au27]'
_cell_volume [785.5235]
_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
[
  Ca  Ca0  6  0.0000  0.0000  0.1424  1.0
  La  La1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0033  0.5016  0.9147  1.0
  Au  Au3  6  0.0000  0.0000  0.3328  1.0
  Au  Au4  3  -0.0000  -0.0000  0.5000  1.0
]