data_[Rb2Hf2Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0374]
_cell_length_b [3.8762]
_cell_length_c [10.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbHfPdSe3]
_chemical_formula_sum '[Rb2 Hf2 Pd2 Se6]'
_cell_volume [324.8370]
_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
[
  Rb  Rb0  2  0.2278  0.2500  0.2551  1.0
  Hf  Hf1  2  0.3099  0.7500  0.8363  1.0
  Pd  Pd2  2  0.0973  0.2500  0.5987  1.0
  Se  Se3  2  0.1202  0.2500  0.8654  1.0
  Se  Se4  2  0.2460  0.7500  0.5557  1.0
  Se  Se5  2  0.4655  0.7500  0.1361  1.0
]