data_[Rb1Pd1Pb1Br6]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9942]
_cell_length_b [7.3359]
_cell_length_c [7.4963]
_cell_angle_alpha [60.8280]
_cell_angle_beta [70.7520]
_cell_angle_gamma [83.6039]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbPdPbBr6]
_chemical_formula_sum '[Rb1 Pd1 Pb1 Br6]'
_cell_volume [316.5010]
_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  0.2483  0.9820  0.0711  1.0
  Pd  Pd1  1  0.4652  0.6644  0.6588  1.0
  Pb  Pb2  1  0.5408  0.3407  0.2908  1.0
  Br  Br3  1  0.2136  0.4374  0.0919  1.0
  Br  Br4  1  0.2351  0.5383  0.5382  1.0
  Br  Br5  1  0.2439  0.9727  0.6241  1.0
  Br  Br6  1  0.6768  0.3649  0.6626  1.0
  Br  Br7  1  0.6803  0.7546  0.8195  1.0
  Br  Br8  1  0.6960  0.9449  0.2433  1.0
]