data_[B3P3Pd18Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.5534]
_cell_length_b [6.5534]
_cell_length_c [12.5185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BP(Pd3Au)2]
_chemical_formula_sum '[B3 P3 Pd18 Au6]'
_cell_volume [465.6081]
_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
[
  B  B0  3  -0.0000  0.0000  0.5000  1.0
  P  P1  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  18  0.0458  0.7676  0.5997  1.0
  Au  Au3  6  0.0000  0.0000  0.2059  1.0
]