data_[Rb4Fe2Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7956]
_cell_length_b [7.9600]
_cell_length_c [13.5494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2FePbBr6]
_chemical_formula_sum '[Rb4 Fe2 Pb2 Br12]'
_cell_volume [688.7988]
_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  0.2639  0.0564  0.2485  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1602  0.0092  0.7314  1.0
  Br  Br4  4  0.2229  0.7241  0.5360  1.0
  Br  Br5  4  0.3127  0.1900  0.5356  1.0
]