data_[Rb4Pd4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2518]
_cell_length_b [7.2743]
_cell_length_c [12.7524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbPdBr3]
_chemical_formula_sum '[Rb4 Pd4 Br12]'
_cell_volume [753.2859]
_cell_formula_units_Z [4]
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  0.3460  0.2113  0.3375  1.0
  Pd  Pd1  4  0.0969  0.6737  0.4256  1.0
  Br  Br2  4  0.0101  0.0643  0.6860  1.0
  Br  Br3  4  0.1856  0.0935  0.0479  1.0
  Br  Br4  4  0.3825  0.7349  0.4007  1.0
]