data_[Rb1Pd1Se1Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7289]
_cell_length_b [7.4738]
_cell_length_c [7.8920]
_cell_angle_alpha [86.2713]
_cell_angle_beta [66.5192]
_cell_angle_gamma [79.9209]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbPdSeBr6]
_chemical_formula_sum '[Rb1 Pd1 Se1 Br6]'
_cell_volume [358.4033]
_cell_formula_units_Z [1]
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  0.9653  0.9104  0.0107  1.0
  Pd  Pd1  1  0.2223  0.6567  0.4359  1.0
  Se  Se2  1  0.7577  0.3651  0.5697  1.0
  Br  Br3  1  0.0488  0.5189  0.2659  1.0
  Br  Br4  1  0.4091  0.8291  0.1583  1.0
  Br  Br5  1  0.4240  0.7579  0.5973  1.0
  Br  Br6  1  0.5653  0.2156  0.8600  1.0
  Br  Br7  1  0.6087  0.2374  0.3795  1.0
  Br  Br8  1  0.9988  0.5089  0.7227  1.0
]