data_[Rb4Pd6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4824]
_cell_length_b [6.5383]
_cell_length_c [14.4467]
_cell_angle_alpha [83.6144]
_cell_angle_beta [77.0351]
_cell_angle_gamma [60.2824]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2Pd3Se4]
_chemical_formula_sum '[Rb4 Pd6 Se8]'
_cell_volume [518.2197]
_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  1  0.3054  0.7525  0.3961  1.0
  Rb  Rb1  1  0.4521  0.7512  0.1040  1.0
  Rb  Rb2  1  0.5535  0.2548  0.9000  1.0
  Rb  Rb3  1  0.6975  0.2460  0.6042  1.0
  Pd  Pd4  1  0.1277  0.2449  0.7472  1.0
  Pd  Pd5  1  0.1317  0.7440  0.7524  1.0
  Pd  Pd6  1  0.3679  0.2485  0.2506  1.0
  Pd  Pd7  1  0.6285  0.7525  0.7512  1.0
  Pd  Pd8  1  0.8746  0.2564  0.2464  1.0
  Pd  Pd9  1  0.8821  0.7421  0.2490  1.0
  Se  Se10  1  0.0180  0.5871  0.6367  1.0
  Se  Se11  1  0.1027  0.4177  0.1304  1.0
  Se  Se12  1  0.2385  0.9106  0.8647  1.0
  Se  Se13  1  0.3501  0.9144  0.6364  1.0
  Se  Se14  1  0.6465  0.0865  0.3682  1.0
  Se  Se15  1  0.7650  0.0737  0.1334  1.0
  Se  Se16  1  0.8892  0.5860  0.8651  1.0
  Se  Se17  1  0.9784  0.4242  0.3681  1.0
]