data_[Rb4Pb4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8018]
_cell_length_b [4.6223]
_cell_length_c [16.7136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbPbBr3]
_chemical_formula_sum '[Rb4 Pb4 Br12]'
_cell_volume [757.2478]
_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  0.0874  0.2500  0.6776  1.0
  Pb  Pb1  4  0.1722  0.7500  0.9409  1.0
  Br  Br2  4  0.0206  0.7500  0.1124  1.0
  Br  Br3  4  0.1583  0.7500  0.5101  1.0
  Br  Br4  4  0.1909  0.2500  0.2865  1.0
]