data_[Pd10Rh2Se8]
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/m]
_cell_length_a [16.4400]
_cell_length_b [3.8498]
_cell_length_c [5.7806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pd5RhSe4]
_chemical_formula_sum '[Pd10 Rh2 Se8]'
_cell_volume [358.3994]
_cell_formula_units_Z [2]
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  0.1876  0.0000  0.5940  1.0
  Pd  Pd1  4  0.2109  0.0000  0.1112  1.0
  Pd  Pd2  2  0.0000  0.5000  0.5000  1.0
  Rh  Rh3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0661  0.0000  0.8058  1.0
  Se  Se5  4  0.1395  0.5000  0.2968  1.0
]