data_[Rb4Nb2Pd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.5377]
_cell_length_b [7.5377]
_cell_length_c [11.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb2NbPdBr6]
_chemical_formula_sum '[Rb4 Nb2 Pd2 Br12]'
_cell_volume [646.3589]
_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  4  0.0000  0.5000  0.2500  1
  Nb  Nb1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Br  Br3  8  0.2467  0.2467  0.5000  1
  Br  Br4  4  0.0000  0.0000  0.2674  1
]