data_[Rb2Fe4Pb2Br16]
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 [C2/m]
_cell_length_a [11.5153]
_cell_length_b [7.9339]
_cell_length_c [10.3748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFe2PbBr8]
_chemical_formula_sum '[Rb2 Fe4 Pb2 Br16]'
_cell_volume [942.3433]
_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  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1123  0.5000  0.7773  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0154  0.2574  0.2226  1.0
  Br  Br4  4  0.2003  0.5000  0.5838  1.0
  Br  Br5  4  0.2342  0.5000  0.9799  1.0
]