data_[Bi36Pd18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5140]
_cell_length_b [12.5140]
_cell_length_c [11.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Bi12Pd6Rh]
_chemical_formula_sum '[Bi36 Pd18 Rh3]'
_cell_volume [1561.5754]
_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
[
  Bi  Bi0  18  0.0382  0.8166  0.4003  1
  Bi  Bi1  18  0.0438  0.8268  0.8934  1
  Pd  Pd2  18  0.0491  0.7903  0.6513  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]