data_[Na6Ca3Ga9Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.6736]
_cell_length_b [9.6736]
_cell_length_c [13.3626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Ca(GaAu4)3]
_chemical_formula_sum '[Na6 Ca3 Ga9 Au36]'
_cell_volume [1082.9316]
_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
[
  Na  Na0  6  0.0000  0.0000  0.3852  1
  Ca  Ca1  3  0.0000  0.0000  0.0000  1
  Ga  Ga2  9  0.0000  0.5000  0.5000  1
  Au  Au3  18  0.0084  0.5042  0.3066  1
  Au  Au4  18  0.0450  0.5225  0.8967  1
]