data_[Pd9Rh3Se18]
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 [R3]
_cell_length_a [6.5102]
_cell_length_b [6.5102]
_cell_length_c [16.7851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pd3RhSe6]
_chemical_formula_sum '[Pd9 Rh3 Se18]'
_cell_volume [616.0855]
_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
[
  Pd  Pd0  3  0.0000  0.0000  0.3502  1.0
  Pd  Pd1  3  0.0000  0.0000  0.6501  1.0
  Pd  Pd2  3  0.0000  0.0000  0.8477  1.0
  Rh  Rh3  3  0.0000  0.0000  0.1512  1.0
  Se  Se4  9  0.0060  0.3090  0.7510  1.0
  Se  Se5  9  0.0350  0.6678  0.9159  1.0
]