data_[Pd4Rh8Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5810]
_cell_length_b [6.2505]
_cell_length_c [5.1954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pd(RhSe)2]
_chemical_formula_sum '[Pd4 Rh8 Se8]'
_cell_volume [338.4338]
_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  0.0000  0.0321  0.2500  1.0
  Rh  Rh1  8  0.1139  0.3831  0.0833  1.0
  Se  Se2  8  0.1550  0.2434  0.6739  1.0
]