data_[Ba6As9Pd36Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5872]
_cell_length_b [8.5872]
_cell_length_c [18.9259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2As3Pd12Pt]
_chemical_formula_sum '[Ba6 As9 Pd36 Pt3]'
_cell_volume [1208.6153]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3856  1
  As  As1  9  0.0000  0.5000  0.5000  1
  Pd  Pd2  18  0.0054  0.5027  0.6245  1
  Pd  Pd3  18  0.0409  0.5204  0.8634  1
  Pt  Pt4  3  0.0000  0.0000  0.0000  1
]