data_[Ba18Ag3Pd6Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0332]
_cell_length_b [8.0332]
_cell_length_c [22.8482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6AgPd2Pt]
_chemical_formula_sum '[Ba18 Ag3 Pd6 Pt3]'
_cell_volume [1276.9231]
_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  9  0.0014  0.3342  0.9198  1.0
  Ba  Ba1  9  0.0331  0.6865  0.0805  1.0
  Ag  Ag2  3  0.0000  0.0000  0.8274  1.0
  Pd  Pd3  3  0.0000  0.0000  0.5058  1.0
  Pd  Pd4  3  0.0000  0.0000  0.9991  1.0
  Pt  Pt5  3  0.0000  0.0000  0.3288  1.0
]