data_[Pd4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0757]
_cell_length_b [2.7372]
_cell_length_c [7.7756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PdRh2]
_chemical_formula_sum '[Pd4 Rh8]'
_cell_volume [174.6142]
_cell_formula_units_Z [4]
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
[
  Pd  Pd0  4  0.1652  0.5000  0.5843  1
  Rh  Rh1  4  0.0001  0.0000  0.7588  1
  Rh  Rh2  4  0.1661  0.5000  0.0797  1
]